2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Chemical Structure Depiction of
2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Compound characteristics
| Compound ID: | D432-0153 |
| Compound Name: | 2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C19 H21 N3 O S2 |
| Smiles: | C(CSCc1ccccc1)c1nnc(n1c1ccccc1)SCCO |
| Stereo: | ACHIRAL |
| logP: | 3.0365 |
| logD: | 3.0365 |
| logSw: | -3.0169 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.616 |
| InChI Key: | CHKSLFBCVHQKAZ-UHFFFAOYSA-N |