2-({5-[2-(butylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Chemical Structure Depiction of
2-({5-[2-(butylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
2-({5-[2-(butylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Compound characteristics
| Compound ID: | D432-0101 |
| Compound Name: | 2-({5-[2-(butylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol |
| Molecular Weight: | 337.5 |
| Molecular Formula: | C16 H23 N3 O S2 |
| Smiles: | CCCCSCCc1nnc(n1c1ccccc1)SCCO |
| Stereo: | ACHIRAL |
| logP: | 2.9233 |
| logD: | 2.9232 |
| logSw: | -2.9685 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.887 |
| InChI Key: | ROASXUQHDRHJIP-UHFFFAOYSA-N |