4-[4-(4-chlorophenyl)-1-methyl-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-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Compound characteristics
| Compound ID: | 8020-1961 |
| Compound Name: | 4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid |
| Molecular Weight: | 397.82 |
| Molecular Formula: | C20 H16 Cl N3 O4 |
| Smiles: | CN1C2CN(C(C=2C(c2ccc(cc2)[Cl])NC1=O)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.838 |
| logD: | 0.4428 |
| logSw: | -3.7276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.465 |
| InChI Key: | ZQWCUXPCIXKLPX-QGZVFWFLSA-N |