6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1116 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 492.95 |
| Molecular Formula: | C23 H20 Cl F3 N4 O S |
| Smiles: | CCn1c2C(N(Cc3ccccc3[Cl])C(=Nc2c(C)n1)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0965 |
| logD: | 5.0965 |
| logSw: | -5.5093 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.438 |
| InChI Key: | XBJLKUCZSHGBJP-UHFFFAOYSA-N |