1-oxo-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
1-oxo-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-2-benzothiopyran-3-carboxamide
1-oxo-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2469 |
| Compound Name: | 1-oxo-N-[3-(1H-tetrazol-1-yl)phenyl]-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 349.37 |
| Molecular Formula: | C17 H11 N5 O2 S |
| Smiles: | C1=C(C(Nc2cccc(c2)n2cnnn2)=O)SC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9684 |
| logD: | 2.9684 |
| logSw: | -3.8126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.088 |
| InChI Key: | LCVMTMSMNDVXHE-UHFFFAOYSA-N |