N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(phenylsulfanyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(phenylsulfanyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(phenylsulfanyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0689 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[2-(phenylsulfanyl)acetamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C19 H16 N4 O4 S2 |
| Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NC(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8047 |
| logD: | 2.8038 |
| logSw: | -3.3872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.644 |
| InChI Key: | KBYLJHVFIZJGMY-UHFFFAOYSA-N |