6-[(4-chlorophenyl)methyl]-2-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
6-[(4-chlorophenyl)methyl]-2-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
Compound ID: | G020-0084 |
Compound Name: | 6-[(4-chlorophenyl)methyl]-2-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
Molecular Weight: | 428.91 |
Molecular Formula: | C21 H18 Cl F N4 O S |
Smiles: | CCn1cc2c(C(N(Cc3ccc(cc3)[Cl])C(=N2)SCc2ccccc2F)=O)n1 |
Stereo: | ACHIRAL |
logP: | 4.638 |
logD: | 4.638 |
logSw: | -4.7599 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.91 |
InChI Key: | APKJWTQOJZJERI-UHFFFAOYSA-N |