N~3~-(4-bromobenzene-1-sulfonyl)-N-[(3-methoxyphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-[(3-methoxyphenyl)methyl]-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-[(3-methoxyphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | K784-4332 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-[(3-methoxyphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 427.31 |
| Molecular Formula: | C17 H19 Br N2 O4 S |
| Smiles: | COc1cccc(CNC(CCNS(c2ccc(cc2)[Br])(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1504 |
| logD: | 3.1503 |
| logSw: | -3.604 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.853 |
| InChI Key: | XYFUEKLDGRJYHZ-UHFFFAOYSA-N |