2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V003-0106 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccccc2[Cl])nnc1SCC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8027 |
| logD: | 5.8027 |
| logSw: | -5.7775 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.202 |
| InChI Key: | VNQINLHDRZCFQT-UHFFFAOYSA-N |