N~3~-(4-methylbenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-methylbenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
N~3~-(4-methylbenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K784-4177 |
| Compound Name: | N~3~-(4-methylbenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4173 |
| logD: | 2.4173 |
| logSw: | -2.9094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.151 |
| InChI Key: | AFHQEFPTYYPGIE-UHFFFAOYSA-N |