1-(3,4-dichlorophenyl)-2-{[4-(3-methoxypropyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-2-{[4-(3-methoxypropyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dichlorophenyl)-2-{[4-(3-methoxypropyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V003-1663 |
| Compound Name: | 1-(3,4-dichlorophenyl)-2-{[4-(3-methoxypropyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 563.51 |
| Molecular Formula: | C29 H24 Cl2 N4 O2 S |
| Salt: | not_available |
| Smiles: | COCCCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.4945 |
| logD: | 7.4936 |
| logSw: | -6.392 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.868 |
| InChI Key: | PUSZHZDVLVXWDL-UHFFFAOYSA-N |