N~3~-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-beta-alaninamide
N~3~-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K781-4674 |
| Compound Name: | N~3~-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-beta-alaninamide |
| Molecular Weight: | 312.43 |
| Molecular Formula: | C15 H24 N2 O3 S |
| Smiles: | CC(C)CCNC(CCNS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5102 |
| logD: | 2.5102 |
| logSw: | -2.9145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.423 |
| InChI Key: | MPVSNRPORJFBOA-UHFFFAOYSA-N |