4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{[4-(dimethylamino)phenyl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{[4-(dimethylamino)phenyl]methyl}cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{[4-(dimethylamino)phenyl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3694 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{[4-(dimethylamino)phenyl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | CN(C)c1ccc(CNC(C2CCC(CC2)CNS(c2cccc3c2nsn3)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.653 |
| logD: | 3.636 |
| logSw: | -3.8922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.36 |
| InChI Key: | DWSVECBZZQHKFY-UHFFFAOYSA-N |