N-(1-benzylpiperidin-4-yl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
N-(1-benzylpiperidin-4-yl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3280 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-N~3~-(5-bromothiophene-2-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 486.45 |
| Molecular Formula: | C19 H24 Br N3 O3 S2 |
| Smiles: | C1CN(CCC1NC(CCNS(c1ccc(s1)[Br])(=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9411 |
| logD: | 1.3834 |
| logSw: | -3.4357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.594 |
| InChI Key: | DNYQUYCSOGTSOR-UHFFFAOYSA-N |