5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-0979 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 477.39 |
| Molecular Formula: | C22 H19 Cl2 F N4 O S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c(C)n1)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1996 |
| logD: | 5.1996 |
| logSw: | -5.6446 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.438 |
| InChI Key: | XDBZCZSGJFPOGJ-UHFFFAOYSA-N |