1-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
1-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-2-benzothiopyran-3-carboxamide
1-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2513 |
| Compound Name: | 1-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C15 H13 N3 O2 S3 |
| Smiles: | CCCSc1nnc(NC(C2=Cc3ccccc3C(=O)S2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3687 |
| logD: | 4.3562 |
| logSw: | -4.3306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.229 |
| InChI Key: | QGRKBNVFIBVGEH-UHFFFAOYSA-N |