4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3423 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C17 H19 N5 O3 S3 |
| Smiles: | C1CC(CCC1CNS(c1cccc2c1nsn2)(=O)=O)C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2184 |
| logD: | 3.2157 |
| logSw: | -3.3431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.711 |
| InChI Key: | PJEPAZDRSPKJRY-UHFFFAOYSA-N |