2-{[5-(4-aminophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-aminophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[5-(4-aminophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D481-2953 |
| Compound Name: | 2-{[5-(4-aminophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C21 H23 N5 O S |
| Smiles: | C1CCN(CC1)C(CSc1nnc(c2ccc(cc2)N)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8358 |
| logD: | 2.8358 |
| logSw: | -3.1784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.911 |
| InChI Key: | AEOWOTDHPWXXAO-UHFFFAOYSA-N |