1-(4-chloro-3-methylphenyl)-2-{[4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chloro-3-methylphenyl)-2-{[4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chloro-3-methylphenyl)-2-{[4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V008-8066 |
| Compound Name: | 1-(4-chloro-3-methylphenyl)-2-{[4-ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C28 H23 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCC(c1ccc(c(C)c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.6331 |
| logD: | 7.6322 |
| logSw: | -6.3505 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.272 |
| InChI Key: | TUZXTSFANLUFEK-UHFFFAOYSA-N |