methyl 2-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate
methyl 2-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | E961-0972 |
| Compound Name: | methyl 2-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}benzoate |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C26 H27 N5 O5 |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(N(CC(Nc3ccccc3C(=O)OC)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7993 |
| logD: | 2.7853 |
| logSw: | -3.3301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.947 |
| InChI Key: | VRNFVFQTQXTXFW-UHFFFAOYSA-N |