4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3607 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 514.54 |
| Molecular Formula: | C21 H21 F3 N4 O4 S2 |
| Smiles: | C1CC(CCC1CNS(c1cccc2c1nsn2)(=O)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0654 |
| logD: | 5.0637 |
| logSw: | -4.8829 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.17 |
| InChI Key: | HXPOCBFCOUBSAQ-UHFFFAOYSA-N |