methyl 4-[2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)acetamido]benzoate
methyl 4-[2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | L681-0392 |
| Compound Name: | methyl 4-[2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)acetamido]benzoate |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | Cn1cc2c(C(N(Cc3ccccc3)C(N2CC(Nc2ccc(cc2)C(=O)OC)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.47 |
| logD: | 2.4699 |
| logSw: | -2.697 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.036 |
| InChI Key: | XODWMCLJPIUXKF-UHFFFAOYSA-N |