ethyl 4-{2-[1-methyl-6-(4-methylphenyl)-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[1-methyl-6-(4-methylphenyl)-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate
ethyl 4-{2-[1-methyl-6-(4-methylphenyl)-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C200-3580 |
| Compound Name: | ethyl 4-{2-[1-methyl-6-(4-methylphenyl)-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H23 N5 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N(C(c2c1cnn2C)=O)c1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.764 |
| logD: | 2.7639 |
| logSw: | -2.9749 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.686 |
| InChI Key: | ILZSJFCLHAJULW-UHFFFAOYSA-N |