2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one
Chemical Structure Depiction of
2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one
2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | K898-0673 |
| Compound Name: | 2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C22 H28 N6 O2 S |
| Smiles: | CCC(C(N1CCOCC1)=O)SC1=Nc2c(C(=N)N1c1ccc(CC)cc1)c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8737 |
| logD: | -1.6959 |
| logSw: | -3.2054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.597 |
| InChI Key: | XNTVWKHYHURNJT-KRWDZBQOSA-N |