2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E960-0903 |
| Compound Name: | 2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C27 H31 N5 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccc(C)cc3)C(=Nc2c(C)n1)SCC(Nc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0153 |
| logD: | 5.0153 |
| logSw: | -4.4819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | QVBLYBWHKOUIFW-UHFFFAOYSA-N |