N-(3,4-dimethylphenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
N-(3,4-dimethylphenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | D276-0616 |
| Compound Name: | N-(3,4-dimethylphenyl)-4,6-dimethyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C27 H24 N2 O4 S |
| Smiles: | Cc1ccc(cc1C)NC(c1c(C)cc(C)nc1SCC(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5434 |
| logD: | 5.5428 |
| logSw: | -5.4612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.78 |
| InChI Key: | JQWIPPMAFRTUFQ-UHFFFAOYSA-N |