TL;DR: 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide (CAS 370847-04-4) is a chemical compound with molecular formula C27H24F3N3O2S and molecular weight 511.15414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide, 2-((3-cyano-5-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide, F1155-0313, 2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C27H24F3N3O2S |
| Molecular Weight | 511.15414 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.15414 Da |
| Heavy Atoms | 36 |
| Complexity | 996.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C(F)(F)F)C#N)C |
| InChIKey | OVGJHVYMXOHOSJ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is 370847-04-4.
The molecular formula of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is C27H24F3N3O2S.
The molecular weight of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is 511.15414 g/mol.
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