1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]ethan-1-one
1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | K413-0345 |
| Compound Name: | 1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 505.66 |
| Molecular Formula: | C27 H27 N3 O3 S2 |
| Smiles: | CCn1cc(c2ccccc12)SCC(N1C(CC(c2cccs2)=N1)c1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5213 |
| logD: | 5.5213 |
| logSw: | -5.5922 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.681 |
| InChI Key: | DYNJFEBDEVEUTD-JOCHJYFZSA-N |