N-(2-methylcyclohexyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(2-methylcyclohexyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(2-methylcyclohexyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1457 |
| Compound Name: | N-(2-methylcyclohexyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 303.42 |
| Molecular Formula: | C17 H21 N O2 S |
| Smiles: | CC1CCCCC1NC(c1cccc2C(CCSc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.656 |
| logD: | 3.656 |
| logSw: | -3.9694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.936 |
| InChI Key: | XIYDRVPZTIYTFP-UHFFFAOYSA-N |