6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1133 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 486.95 |
| Molecular Formula: | C23 H20 Cl F N4 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c(C)n1)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4761 |
| logD: | 4.4761 |
| logSw: | -4.5748 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.554 |
| InChI Key: | LFJWPULIQXIKMS-UHFFFAOYSA-N |