N~3~-(5-bromothiophene-2-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(5-bromothiophene-2-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide
N~3~-(5-bromothiophene-2-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3292 |
| Compound Name: | N~3~-(5-bromothiophene-2-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 453.76 |
| Molecular Formula: | C14 H14 Br Cl N2 O4 S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(CCNS(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5033 |
| logD: | 3.5011 |
| logSw: | -3.6607 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.636 |
| InChI Key: | XNTQMLGAPSIKLM-UHFFFAOYSA-N |