N-butyl-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-butyl-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-butyl-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K781-4651 |
| Compound Name: | N-butyl-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 298.4 |
| Molecular Formula: | C14 H22 N2 O3 S |
| Smiles: | CCCCNC(CCNS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2963 |
| logD: | 2.2962 |
| logSw: | -3.037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.423 |
| InChI Key: | HFEZHIHPHROQJK-UHFFFAOYSA-N |