N~3~-(4-bromobenzene-1-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-beta-alaninamide
Compound characteristics
| Compound ID: | K786-0491 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-beta-alaninamide |
| Molecular Weight: | 482.44 |
| Molecular Formula: | C21 H28 Br N3 O3 S |
| Smiles: | CCN(CCCNC(CCNS(c1ccc(cc1)[Br])(=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0431 |
| logD: | 4.0107 |
| logSw: | -3.9089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.141 |
| InChI Key: | XBYFUHFVGMFNGH-UHFFFAOYSA-N |