2-ethyl-6-[(4-methylphenyl)methyl]-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
2-ethyl-6-[(4-methylphenyl)methyl]-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
2-ethyl-6-[(4-methylphenyl)methyl]-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
Compound ID: | G020-0006 |
Compound Name: | 2-ethyl-6-[(4-methylphenyl)methyl]-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
Molecular Weight: | 411.52 |
Molecular Formula: | C21 H25 N5 O2 S |
Smiles: | CCn1cc2c(C(N(Cc3ccc(C)cc3)C(=N2)SCC(N2CCCC2)=O)=O)n1 |
Stereo: | ACHIRAL |
logP: | 2.6219 |
logD: | 2.6219 |
logSw: | -2.7611 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 57.669 |
InChI Key: | OSSNJTZDFBGFOB-UHFFFAOYSA-N |