4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[methyl(phenyl)amino]propyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[methyl(phenyl)amino]propyl}cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[methyl(phenyl)amino]propyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3696 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-{3-[methyl(phenyl)amino]propyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C24 H31 N5 O3 S2 |
| Smiles: | CN(CCCNC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6515 |
| logD: | 3.6442 |
| logSw: | -3.8706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.601 |
| InChI Key: | XYXLQOYBUWBBON-UHFFFAOYSA-N |