2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-ol
Chemical Structure Depiction of
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-ol
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-ol
Compound characteristics
| Compound ID: | D432-0151 |
| Compound Name: | 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-ol |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C17 H17 N3 O S |
| Smiles: | C(c1ccccc1)c1nnc(n1c1ccccc1)SCCO |
| Stereo: | ACHIRAL |
| logP: | 2.4815 |
| logD: | 2.4815 |
| logSw: | -2.1321 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.616 |
| InChI Key: | VNTTYCHBVVUBGP-UHFFFAOYSA-N |