2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | L849-0369 |
| Compound Name: | 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C25 H25 Cl N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(cc2)[Cl])nnc1SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2673 |
| logD: | 4.2673 |
| logSw: | -4.5755 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.104 |
| InChI Key: | DVDDJBPDTAHSAE-UHFFFAOYSA-N |