1-(4-chlorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F235-1971 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C21 H15 Cl N4 O S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nnc(c2cccnc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9073 |
| logD: | 3.9031 |
| logSw: | -4.5528 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.477 |
| InChI Key: | RCYUDQNCNWINBV-UHFFFAOYSA-N |