2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | Y031-3527 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C18 H15 N3 O4 S2 |
| Smiles: | C(C(Nc1nnc(CSc2ccccc2)s1)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.6812 |
| logD: | 3.5659 |
| logSw: | -4.0494 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.499 |
| InChI Key: | NTKDRBAITXNRKB-UHFFFAOYSA-N |