2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one
2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | K898-1534 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C20 H23 Cl N6 O S |
| Smiles: | CCC(C(N1CCCC1)=O)SC1=Nc2c(C(=N)N1c1ccccc1[Cl])c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3749 |
| logD: | -0.9131 |
| logSw: | -3.8806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.754 |
| InChI Key: | XGTIRNHBYPLRSK-HNNXBMFYSA-N |