N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3266 |
| Compound Name: | N~3~-(5-bromothiophene-2-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 421.3 |
| Molecular Formula: | C14 H14 Br F N2 O3 S2 |
| Smiles: | C(CNS(c1ccc(s1)[Br])(=O)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.722 |
| logD: | 2.7218 |
| logSw: | -3.1705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.328 |
| InChI Key: | LNHDNTAOYXXBJD-UHFFFAOYSA-N |