4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3504 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 522.07 |
| Molecular Formula: | C21 H20 Cl N5 O3 S3 |
| Smiles: | C1CC(CCC1CNS(c1cccc2c1nsn2)(=O)=O)C(Nc1nc2ccc(cc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4437 |
| logD: | 5.4417 |
| logSw: | -5.9632 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.994 |
| InChI Key: | DCFXQVXHHQEPKO-UHFFFAOYSA-N |