2-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]phenol
Chemical Structure Depiction of
2-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]phenol
2-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]phenol
Compound characteristics
| Compound ID: | 8016-5575 |
| Compound Name: | 2-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]phenol |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C23 H20 Cl N3 O S |
| Smiles: | C(Cc1nnc(n1c1ccccc1)SCc1ccc(cc1)[Cl])c1ccccc1O |
| Stereo: | ACHIRAL |
| logP: | 5.2584 |
| logD: | 5.2577 |
| logSw: | -5.5482 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.237 |
| InChI Key: | USAGZKFVTHEPMM-UHFFFAOYSA-N |