3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0274 |
| Compound Name: | 3-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCc3ccccc3C2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7552 |
| logD: | 3.7552 |
| logSw: | -3.8794 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.642 |
| InChI Key: | MZFYFXGIUHUOPF-JOCHJYFZSA-N |