N-(2H-1,3-benzodioxol-5-yl)-5-{[(ethanesulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(ethanesulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(ethanesulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L063-0478 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(ethanesulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 370.4 |
| Molecular Formula: | C13 H14 N4 O5 S2 |
| Smiles: | CCS(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2235 |
| logD: | 1.1665 |
| logSw: | -2.5375 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.101 |
| InChI Key: | ZUEXTVRASDPPFL-UHFFFAOYSA-N |