N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxybenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxybenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxybenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L063-0505 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxybenzene-1-sulfonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C19 H18 N4 O6 S2 |
| Smiles: | CCOc1ccc(cc1)S(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9049 |
| logD: | 2.8491 |
| logSw: | -3.6231 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.326 |
| InChI Key: | CBCGKKRIQVDZGO-UHFFFAOYSA-N |