1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(4-methylphenyl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(4-methylphenyl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(4-methylphenyl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
Compound ID: | E960-0946 |
Compound Name: | 1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(4-methylphenyl)methyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
Molecular Weight: | 422.52 |
Molecular Formula: | C23 H23 F N4 O S |
Smiles: | CCn1c2C(N(Cc3ccc(C)cc3)C(=Nc2c(C)n1)SCc1cccc(c1)F)=O |
Stereo: | ACHIRAL |
logP: | 4.4013 |
logD: | 4.4013 |
logSw: | -4.3391 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 37.438 |
InChI Key: | VXYCWXAAHJOFOP-UHFFFAOYSA-N |