5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-2-ethyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-2-ethyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-2-ethyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C200-4100 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-chlorophenyl)methyl]-2-ethyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 463.36 |
| Molecular Formula: | C21 H17 Cl2 F N4 O S |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(cc3)[Cl])C(=N2)SCc2c(cccc2[Cl])F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1005 |
| logD: | 5.1005 |
| logSw: | -5.4397 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.91 |
| InChI Key: | AHHGGTKKYWVZJY-UHFFFAOYSA-N |