6-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | G856-2484 |
| Compound Name: | 6-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C27 H22 N6 O3 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8663 |
| logD: | 4.8033 |
| logSw: | -4.4444 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.634 |
| InChI Key: | ASNFJEAAAOTRMT-JOCHJYFZSA-N |