3-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Chemical Structure Depiction of
3-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
3-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Compound characteristics
| Compound ID: | 8019-3516 |
| Compound Name: | 3-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C21 H19 N3 O4 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CN(C2=O)c2cccc(c2)C(O)=O)N(C)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7307 |
| logD: | 0.0454 |
| logSw: | -2.9841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.465 |
| InChI Key: | NNBHBKMXWSEAFR-SFHVURJKSA-N |