3-[3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(thiophen-2-yl)-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-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0070 |
| Compound Name: | 3-[3-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C23 H25 N3 O5 S2 |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(c1cc(c2cccs2)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1405 |
| logD: | 2.1405 |
| logSw: | -2.721 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.921 |
| InChI Key: | RPVFZEZPEFIGHC-QGZVFWFLSA-N |