2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G020-0399 |
| Compound Name: | 2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 437.44 |
| Molecular Formula: | C19 H18 F3 N5 O2 S |
| Smiles: | Cn1cc2c(C(N(CC3CC3)C(=N2)SCC(Nc2ccccc2C(F)(F)F)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5161 |
| logD: | 2.5161 |
| logSw: | -2.9201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.192 |
| InChI Key: | RMKQYHQVPFBSBK-UHFFFAOYSA-N |