N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-cyclopentylpropanamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-cyclopentylpropanamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-cyclopentylpropanamide
Compound characteristics
| Compound ID: | L150-0323 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-cyclopentylpropanamide |
| Molecular Weight: | 485.44 |
| Molecular Formula: | C23 H25 Br N4 O S |
| Smiles: | C1CCC(C1)CCC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4593 |
| logD: | 5.4593 |
| logSw: | -5.6528 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.773 |
| InChI Key: | AGJWZNLFISBAAR-UHFFFAOYSA-N |