methyl 2-(2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
Chemical Structure Depiction of
methyl 2-(2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
methyl 2-(2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
Compound characteristics
| Compound ID: | Y504-6955 |
| Compound Name: | methyl 2-(2H-1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | COC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2cc(c3ccc4c(c3)OCO4)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3211 |
| logD: | 4.3209 |
| logSw: | -4.569 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.797 |
| InChI Key: | FORRICLDZYCOGA-UHFFFAOYSA-N |