5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1023 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C23 H22 Cl F N4 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)OC)C(=Nc2c(C)n1)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5872 |
| logD: | 4.5872 |
| logSw: | -4.6835 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.982 |
| InChI Key: | QRZWELFIVAJSCK-UHFFFAOYSA-N |