2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E960-1255 |
| Compound Name: | 2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 491.49 |
| Molecular Formula: | C22 H20 F3 N5 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(=Nc2c(C)n1)SCC(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0228 |
| logD: | 3.0228 |
| logSw: | -3.5174 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.638 |
| InChI Key: | XVJZFJYEIIUURI-UHFFFAOYSA-N |