N-(4-bromo-3-methylphenyl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
N-(4-bromo-3-methylphenyl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3118 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 482.21 |
| Molecular Formula: | C14 H14 Br2 N2 O3 S2 |
| Smiles: | Cc1cc(ccc1[Br])NC(CCNS(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1672 |
| logD: | 4.1667 |
| logSw: | -4.2205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.006 |
| InChI Key: | FTXPBXPOSMKJIK-UHFFFAOYSA-N |