2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one
Chemical Structure Depiction of
2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one
2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | K898-0211 |
| Compound Name: | 2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C21 H26 N6 O2 S |
| Smiles: | CCC(C(N1CCOCC1)=O)SC1=Nc2c(C(=N)N1c1ccccc1C)c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3711 |
| logD: | -2.2715 |
| logSw: | -2.5901 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.296 |
| InChI Key: | IELUMLYBJFLCRB-INIZCTEOSA-N |