methyl 2-{4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamido}benzoate
methyl 2-{4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | E856-0063 |
| Compound Name: | methyl 2-{4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | COC(c1ccccc1NC(c1ccc(CN2C(CCn3c2ccn3)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5364 |
| logD: | 2.126 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.994 |
| InChI Key: | VMEGFUWAUKEOSC-UHFFFAOYSA-N |