methyl 4-{[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 4-{[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D520-0579 |
| Compound Name: | methyl 4-{[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C23 H20 N4 O5 |
| Smiles: | COC(c1ccc(cc1)NC(c1cc2nccc(c3ccc(c(c3)OC)OC)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3555 |
| logD: | 3.3541 |
| logSw: | -3.7029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.355 |
| InChI Key: | NKOHBUUCRADLQD-UHFFFAOYSA-N |