5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-ethyl-6-(2-methylpropyl)-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-(2-methylpropyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-ethyl-6-(2-methylpropyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C200-9628 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-ethyl-6-(2-methylpropyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C18 H20 Cl F N4 O S |
| Smiles: | CCn1cc2c(C(N(CC(C)C)C(=N2)SCc2c(cccc2[Cl])F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.145 |
| logD: | 4.145 |
| logSw: | -4.2936 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.182 |
| InChI Key: | OCIWRZROUCQBAQ-UHFFFAOYSA-N |