4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3559 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C21 H23 F N4 O3 S2 |
| Smiles: | C1CC(CCC1CNS(c1cccc2c1nsn2)(=O)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.592 |
| logD: | 3.5904 |
| logSw: | -3.6325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.555 |
| InChI Key: | HQDQZVUXNBTASJ-UHFFFAOYSA-N |