2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E961-0944 |
| Compound Name: | 2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(N(CC(Nc3cccc(c3)SC)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5357 |
| logD: | 3.5357 |
| logSw: | -3.8572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.471 |
| InChI Key: | FGPKQCFVCOPVEC-UHFFFAOYSA-N |