2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E960-0919 |
| Compound Name: | 2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C25 H26 F N5 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccc(C)cc3)C(=Nc2c(C)n1)SCC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3875 |
| logD: | 3.3875 |
| logSw: | -3.6276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.91 |
| InChI Key: | UIVFYZGFQPZFPU-UHFFFAOYSA-N |