N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K781-4199 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-beta-alaninamide |
| Molecular Weight: | 417.36 |
| Molecular Formula: | C17 H25 Br N2 O3 S |
| Smiles: | CC1CCCC(C1C)NC(CCNS(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5392 |
| logD: | 3.5392 |
| logSw: | -3.9058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.425 |
| InChI Key: | XHTOWJGWJPZOIX-UHFFFAOYSA-N |