4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
Chemical Structure Depiction of
4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
Compound characteristics
| Compound ID: | D423-0050 |
| Compound Name: | 4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C18 H19 N3 O S |
| Smiles: | CCCCSc1nnc(c2ccc(cc2)O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5821 |
| logD: | 4.5735 |
| logSw: | -4.3112 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.601 |
| InChI Key: | VEENTIUTBLSYCO-UHFFFAOYSA-N |