N-(2-methoxy-5-nitrophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(2-methoxy-5-nitrophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1288 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C17 H14 N2 O5 S |
| Smiles: | COc1ccc(cc1NC(c1cccc2C(CCSc12)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8206 |
| logD: | 2.1562 |
| logSw: | -3.679 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.812 |
| InChI Key: | CVIYWWNIMXXMEI-UHFFFAOYSA-N |