N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclobutanecarboxamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclobutanecarboxamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclobutanecarboxamide
Compound characteristics
| Compound ID: | L150-0321 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}cyclobutanecarboxamide |
| Molecular Weight: | 443.36 |
| Molecular Formula: | C20 H19 Br N4 O S |
| Smiles: | C1CC(C1)C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9156 |
| logD: | 3.9156 |
| logSw: | -3.93 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.952 |
| InChI Key: | QFWPLXAXNZXORS-UHFFFAOYSA-N |