5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-ethyl-6-[(4-methoxyphenyl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-ethyl-6-[(4-methoxyphenyl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-ethyl-6-[(4-methoxyphenyl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | G020-0142 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-ethyl-6-[(4-methoxyphenyl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C22 H20 Cl F N4 O2 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(cc3)OC)C(=N2)SCc2c(cccc2[Cl])F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4881 |
| logD: | 4.4881 |
| logSw: | -4.4683 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.454 |
| InChI Key: | FJBRDSXQAHPRGQ-UHFFFAOYSA-N |