TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 708284-58-6) is a chemical compound with molecular formula C24H24ClF3N4O3S and molecular weight 540.121 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H24ClF3N4O3S |
| Molecular Weight | 540.121 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 540.121 Da |
| Heavy Atoms | 36 |
| Complexity | 723.0 |
| SMILES | CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
| InChIKey | UMEFZPJWVIHKPS-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 708284-58-6.
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C24H24ClF3N4O3S.
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 540.121 g/mol.
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