N-{[4-(methylsulfanyl)phenyl]methyl}-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2H-1-benzopyran-3-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G669-0955 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C18 H17 N O2 S |
| Smiles: | CSc1ccc(CNC(C2COc3ccccc3C=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9357 |
| logD: | 3.9357 |
| logSw: | -4.0653 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.022 |
| InChI Key: | BTQXLXXTHLENRP-UHFFFAOYSA-N |