1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | L849-0643 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C25 H26 N6 O2 S |
| Smiles: | Cn1c(c2cn(C)nc2c2cccc(c2)OC)nnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4203 |
| logD: | 3.4203 |
| logSw: | -3.7415 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.736 |
| InChI Key: | CWBHWKBWZJAIIF-UHFFFAOYSA-N |