6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1132 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C23 H21 F N4 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c(C)n1)SCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0136 |
| logD: | 4.0136 |
| logSw: | -4.0011 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.554 |
| InChI Key: | AXDATEPWACYZIK-UHFFFAOYSA-N |