4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(2,3-dimethylphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(2,3-dimethylphenyl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(2,3-dimethylphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3469 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(2,3-dimethylphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8032 |
| logD: | 4.8016 |
| logSw: | -4.4723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.535 |
| InChI Key: | HGZWXTMWVWLMNQ-UHFFFAOYSA-N |