N-[(2-chlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-[(2-chlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K784-4180 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 366.86 |
| Molecular Formula: | C17 H19 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(NCc1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4246 |
| logD: | 3.4246 |
| logSw: | -3.4324 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.31 |
| InChI Key: | LXZVXLRTZGLQGV-UHFFFAOYSA-N |