4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Chemical Structure Depiction of
4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Compound characteristics
| Compound ID: | 8017-9532 |
| Compound Name: | 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C20 H16 N4 O6 |
| Smiles: | CN1C2CN(C(C=2C(c2cccc(c2)[N+]([O-])=O)NC1=O)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2143 |
| logD: | -0.1809 |
| logSw: | -2.7282 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.846 |
| InChI Key: | PPRHXOHVHXABGS-QGZVFWFLSA-N |