4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-bromophenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-bromophenyl)cyclohexane-1-carboxamide
4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-bromophenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C548-3509 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}-N-(4-bromophenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 509.44 |
| Molecular Formula: | C20 H21 Br N4 O3 S2 |
| Smiles: | C1CC(CCC1CNS(c1cccc2c1nsn2)(=O)=O)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.708 |
| logD: | 4.7064 |
| logSw: | -4.7206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.233 |
| InChI Key: | MEYDKVQXXQTVDO-UHFFFAOYSA-N |