N-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1239 |
| Compound Name: | N-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 313.37 |
| Molecular Formula: | C17 H15 N O3 S |
| Smiles: | COc1cccc(c1)NC(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0973 |
| logD: | 3.096 |
| logSw: | -3.6614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.042 |
| InChI Key: | LUJCGZGULNIJEB-UHFFFAOYSA-N |