2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Chemical Structure Depiction of
2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Compound characteristics
| Compound ID: | D432-0016 |
| Compound Name: | 2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol |
| Molecular Weight: | 385.55 |
| Molecular Formula: | C20 H23 N3 O S2 |
| Smiles: | C(CSCc1ccccc1)c1nnc(n1Cc1ccccc1)SCCO |
| Stereo: | ACHIRAL |
| logP: | 3.3641 |
| logD: | 3.3641 |
| logSw: | -3.2466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.873 |
| InChI Key: | GEOZYXHYVKIDBU-UHFFFAOYSA-N |