2-{[5-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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: | K898-0904 |
Compound Name: | 2-{[5-(4-ethoxyphenyl)-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: | 456.57 |
Molecular Formula: | C22 H28 N6 O3 S |
Smiles: | CCC(C(N1CCOCC1)=O)SC1=Nc2c(C(=N)N1c1ccc(cc1)OCC)c(C)n[nH]2 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.312 |
logD: | -2.2576 |
logSw: | -2.7119 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.721 |
InChI Key: | JMWLMKVSDUQYGR-KRWDZBQOSA-N |