N-(4-chlorophenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
N-(4-chlorophenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | D276-0233 |
| Compound Name: | N-(4-chlorophenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide |
| Molecular Weight: | 478.95 |
| Molecular Formula: | C25 H19 Cl N2 O4 S |
| Smiles: | Cc1cc(C)nc(c1C(Nc1ccc(cc1)[Cl])=O)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1507 |
| logD: | 5.1085 |
| logSw: | -5.6967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.78 |
| InChI Key: | VUHQXMXMRFWZFV-UHFFFAOYSA-N |