4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3426 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C22 H26 N4 O5 S2 |
| Smiles: | COc1ccc(cc1OC)NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.409 |
| logD: | 3.4074 |
| logSw: | -3.7567 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.494 |
| InChI Key: | ILQLJRPYZRYFPK-UHFFFAOYSA-N |