N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0510 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C23 H17 N O3 S |
| Smiles: | CSc1cccc(c1)NC(C1=C(c2ccccc2)c2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6327 |
| logD: | 4.6327 |
| logSw: | -4.654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.059 |
| InChI Key: | ZMUJBPVFIKODBE-UHFFFAOYSA-N |