3-[3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
Compound ID: | D627-0188 |
Compound Name: | 3-[3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
Molecular Weight: | 495.6 |
Molecular Formula: | C26 H29 N3 O5 S |
Smiles: | Cc1ccc(cc1)c1cc(C(N2CCc3cc(c(cc3C2)OC)OC)=O)nn1C1CCS(C1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8999 |
logD: | 2.8999 |
logSw: | -3.3589 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 72.903 |
InChI Key: | HTLFFQKKRGAFBD-OAQYLSRUSA-N |