2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | E961-1028 |
| 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-(3-chlorophenyl)acetamide |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Smiles: | CCn1c2C(N(Cc3ccccc3)C(N(CC(Nc3cccc(c3)[Cl])=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6742 |
| logD: | 3.674 |
| logSw: | -3.8764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.493 |
| InChI Key: | WXBRXWZHFDAJLI-UHFFFAOYSA-N |