3-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentane-2,4-dione
Chemical Structure Depiction of
3-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentane-2,4-dione
3-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentane-2,4-dione
Compound characteristics
| Compound ID: | 8012-4185 |
| Compound Name: | 3-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentane-2,4-dione |
| Molecular Weight: | 385.87 |
| Molecular Formula: | C19 H16 Cl N3 O2 S |
| Smiles: | CC(C(C(C)=O)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.722 |
| logD: | 3.3952 |
| logSw: | -4.1051 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.638 |
| InChI Key: | PZNVVZXGIZPIKS-UHFFFAOYSA-N |