2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[3-(methylsulfanyl)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-[3-(methylsulfanyl)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-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E960-0915 |
| 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-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C25 H27 N5 O2 S2 |
| Smiles: | CCn1c2C(N(Cc3ccc(C)cc3)C(=Nc2c(C)n1)SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.138 |
| logD: | 4.138 |
| logSw: | -4.0993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | WEFKDAZLLJIXQN-UHFFFAOYSA-N |