5-{[(4-chlorophenyl)sulfanyl]methyl}-2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y020-8089 |
| Compound Name: | 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C21 H17 Cl F N3 O S |
| Smiles: | CCc1c(c2ccc(cc2)F)c2NC(CSc3ccc(cc3)[Cl])=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2746 |
| logD: | 5.0714 |
| logSw: | -6.0239 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.225 |
| InChI Key: | TXCYCYYOSQRFLH-UHFFFAOYSA-N |