N-{5-[(3-methylbutyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide
Chemical Structure Depiction of
N-{5-[(3-methylbutyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide
N-{5-[(3-methylbutyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide
Compound characteristics
| Compound ID: | M004-0254 |
| Compound Name: | N-{5-[(3-methylbutyl)carbamamido]-1,3-benzothiazol-2-yl}benzenesulfonamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C19 H22 N4 O3 S2 |
| Smiles: | [H]c1cc2c(cc1NC(NCCC(C)C)=O)nc(NS(c1ccccc1)(=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5536 |
| logD: | 4.1526 |
| logSw: | -4.2204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.387 |
| InChI Key: | MBYZRDNJBHLKLZ-UHFFFAOYSA-N |