2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide
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-phenylacetamide
2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | G020-0031 |
| Compound Name: | 2-({2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(C)cc3)C(=N2)SCC(Nc2ccccc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3863 |
| logD: | 3.3863 |
| logSw: | -3.5876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.06 |
| InChI Key: | JHLKNUUENVKGLH-UHFFFAOYSA-N |