N-[(3,4-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(3,4-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-[(3,4-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K781-4683 |
| Compound Name: | N-[(3,4-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 401.31 |
| Molecular Formula: | C17 H18 Cl2 N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(NCc1ccc(c(c1)[Cl])[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0016 |
| logD: | 4.0016 |
| logSw: | -4.1263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.31 |
| InChI Key: | CFVQGKUTKPEERZ-UHFFFAOYSA-N |