N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2436 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C14 H11 N3 O2 S2 |
| Smiles: | CCc1nnc(NC(C2=Cc3ccccc3C(=O)S2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2979 |
| logD: | 3.0781 |
| logSw: | -3.7877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.363 |
| InChI Key: | WCZCJOCDJOEOLQ-UHFFFAOYSA-N |