5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1307 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 432.9 |
| Molecular Formula: | C20 H18 Cl F N4 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(=Nc2c(C)n1)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8583 |
| logD: | 3.8583 |
| logSw: | -4.1706 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.187 |
| InChI Key: | FAWBFJFXOQFCCA-UHFFFAOYSA-N |