4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3581 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 495.02 |
| Molecular Formula: | C21 H23 Cl N4 O4 S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3847 |
| logD: | 4.3831 |
| logSw: | -4.5205 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.863 |
| InChI Key: | XWDZIQXOOPUQTN-UHFFFAOYSA-N |