2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E961-1048 |
| Compound Name: | 2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CCn1c2C(N(Cc3ccccc3)C(N(CC(NCc3ccc(cc3)OC)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4807 |
| logD: | 2.4807 |
| logSw: | -2.5772 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.358 |
| InChI Key: | KAEXHGIBKCRTSD-UHFFFAOYSA-N |