N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3189 |
| Compound Name: | N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 433.34 |
| Molecular Formula: | C15 H17 Br N2 O4 S2 |
| Smiles: | COc1ccc(CNC(CCNS(c2ccc(s2)[Br])(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6753 |
| logD: | 2.6751 |
| logSw: | -3.1022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.872 |
| InChI Key: | AUGSMJBZEFFSDR-UHFFFAOYSA-N |