N-(3,4-dimethylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(3,4-dimethylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1154 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C25 H26 F N5 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(=Nc2c(C)n1)SCC(Nc1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2702 |
| logD: | 4.2702 |
| logSw: | -4.2128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | QGEOODBBUWOVKD-UHFFFAOYSA-N |