TL;DR: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide (CAS 847185-25-5) is a chemical compound with molecular formula C25H15ClN2O3S and molecular weight 458.0492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide
Also Known As: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide, N-(4-(4-chlorophenyl)thiazol-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide, N-[(2Z)-4-(4-chlorophenyl)-1,3-thiazol-2(3H)-ylidene]-4-(2-oxo-2H-chromen-3-yl)benzamide
| Molecular Formula | C25H15ClN2O3S |
| Molecular Weight | 458.0492 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.0492 Da |
| Heavy Atoms | 32 |
| Complexity | 731.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl |
| InChIKey | QLXSJANCTIFSBL-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide. Following Lipinski's Rule of Five, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide is 847185-25-5.
The molecular formula of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide is C25H15ClN2O3S.
The molecular weight of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2H-chromen-3-yl)benzamide is 458.0492 g/mol.
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