4-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
Chemical Structure Depiction of
4-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
4-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
Compound characteristics
| Compound ID: | 8017-3368 |
| Compound Name: | 4-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid |
| Molecular Weight: | 363.37 |
| Molecular Formula: | C20 H17 N3 O4 |
| Smiles: | CN1C2CN(C(C=2C(c2ccccc2)NC1=O)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2476 |
| logD: | -0.1476 |
| logSw: | -2.6926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.465 |
| InChI Key: | DZSHSMBBXRFJRE-KRWDZBQOSA-N |