N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3201 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 447.32 |
| Molecular Formula: | C15 H15 Br N2 O5 S2 |
| Smiles: | C(CNS(c1ccc(s1)[Br])(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.606 |
| logD: | 2.6058 |
| logSw: | -3.1038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.443 |
| InChI Key: | QUIONQXXPSSDAT-UHFFFAOYSA-N |