N~3~-(4-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
N~3~-(4-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | K781-2048 |
| Compound Name: | N~3~-(4-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 382.86 |
| Molecular Formula: | C17 H19 Cl N2 O4 S |
| Smiles: | COc1ccc(CNC(CCNS(c2ccc(cc2)[Cl])(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7963 |
| logD: | 2.7963 |
| logSw: | -3.4 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.853 |
| InChI Key: | YMBOBIFNRZGOOD-UHFFFAOYSA-N |