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-methoxyphenyl)methyl]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-methoxyphenyl)methyl]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-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E960-0924 |
| 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-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccc(C)cc3)C(=Nc2c(C)n1)SCC(NCc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3408 |
| logD: | 3.3408 |
| logSw: | -3.4715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.453 |
| InChI Key: | CHRPQRYRLIWWON-UHFFFAOYSA-N |