N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclobutanecarboxamide
Chemical Structure Depiction of
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclobutanecarboxamide
N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclobutanecarboxamide
Compound characteristics
| Compound ID: | F938-0391 |
| Compound Name: | N-(2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}phenyl)cyclobutanecarboxamide |
| Molecular Weight: | 457.39 |
| Molecular Formula: | C21 H21 Br N4 O S |
| Smiles: | C1CC(C1)C(Nc1ccccc1Sc1nc(nn1CCc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1447 |
| logD: | 4.1447 |
| logSw: | -4.1779 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.93 |
| InChI Key: | QYLXNWMKIULAMZ-UHFFFAOYSA-N |