N~3~-(5-bromothiophene-2-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(5-bromothiophene-2-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
N~3~-(5-bromothiophene-2-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3213 |
| Compound Name: | N~3~-(5-bromothiophene-2-sulfonyl)-N-(2-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 403.31 |
| Molecular Formula: | C14 H15 Br N2 O3 S2 |
| Smiles: | Cc1ccccc1NC(CCNS(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7875 |
| logD: | 2.7873 |
| logSw: | -3.3059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.308 |
| InChI Key: | CPAPEGIJXINJOM-UHFFFAOYSA-N |