2-({2-ethyl-6-[(4-methylphenyl)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-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-4185 |
| Compound Name: | 2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 501.53 |
| Molecular Formula: | C24 H22 F3 N5 O2 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(C)cc3)C(=N2)SCC(Nc2ccccc2C(F)(F)F)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0936 |
| logD: | 4.0936 |
| logSw: | -4.1288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.362 |
| InChI Key: | IISOKTDXXMZVBO-UHFFFAOYSA-N |