N-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-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: | E960-0891 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-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: | 496.03 |
| Molecular Formula: | C25 H26 Cl N5 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccc(C)cc3)C(=Nc2c(C)n1)SCC(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1404 |
| logD: | 4.1404 |
| logSw: | -4.2826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.91 |
| InChI Key: | HNBSTJUWBSYQCL-UHFFFAOYSA-N |