N-(3-acetylphenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(3-acetylphenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-0921 |
| Compound Name: | N-(3-acetylphenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccc(C)cc3)C(=Nc2c(C)n1)SCC(Nc1cccc(c1)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.418 |
| logD: | 3.4179 |
| logSw: | -3.6936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.414 |
| InChI Key: | SSDFWZDLYCHCJO-UHFFFAOYSA-N |