N-(2H-1,3-benzodioxol-5-yl)-5-{[(propane-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(propane-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(propane-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L063-0468 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(propane-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C14 H16 N4 O5 S2 |
| Smiles: | CCCS(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5698 |
| logD: | 1.528 |
| logSw: | -2.5733 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.101 |
| InChI Key: | YNKVXZHKSBJZTH-UHFFFAOYSA-N |