4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-methylbutyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-methylbutyl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-methylbutyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3526 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-methylbutyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 424.58 |
| Molecular Formula: | C19 H28 N4 O3 S2 |
| Smiles: | CC(C)CCNC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8294 |
| logD: | 3.8278 |
| logSw: | -3.9192 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.668 |
| InChI Key: | YEPLKEKHSPKSAK-UHFFFAOYSA-N |