6-[(4-chlorophenyl)methyl]-1-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-1-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
6-[(4-chlorophenyl)methyl]-1-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
Compound ID: | E960-0984 |
Compound Name: | 6-[(4-chlorophenyl)methyl]-1-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
Molecular Weight: | 442.94 |
Molecular Formula: | C22 H20 Cl F N4 O S |
Smiles: | CCn1c2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c(C)n1)SCc1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 4.202 |
logD: | 4.202 |
logSw: | -4.4725 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 37.438 |
InChI Key: | JBGROJXFDWLOEP-UHFFFAOYSA-N |