2-{[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]amino}benzoic acid
Chemical Structure Depiction of
2-{[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]amino}benzoic acid
2-{[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 8020-1468 |
| Compound Name: | 2-{[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]amino}benzoic acid |
| Molecular Weight: | 423.38 |
| Molecular Formula: | C20 H17 N5 O6 |
| Smiles: | CN1C2CN(C(C=2C(c2cccc(c2)[N+]([O-])=O)NC1=O)=O)Nc1ccccc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3358 |
| logD: | -0.6978 |
| logSw: | -2.9938 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.276 |
| InChI Key: | CCTWOLQVKMOGJR-QGZVFWFLSA-N |