N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y031-3174 |
| Compound Name: | N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 371.43 |
| Molecular Formula: | C17 H13 N3 O3 S2 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1nnc(CSc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9333 |
| logD: | 3.6185 |
| logSw: | -4.1804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.214 |
| InChI Key: | OYCLJSPGQULDGN-UHFFFAOYSA-N |