3-[4-(4-methoxyphenyl)-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
3-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
3-[4-(4-methoxyphenyl)-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: | 8017-4859 |
| Compound Name: | 3-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | CN1C2CN(C(C=2C(c2ccc(cc2)OC)NC1=O)=O)c1cccc(c1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2897 |
| logD: | -0.3956 |
| logSw: | -2.8147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.008 |
| InChI Key: | ROCMOCOQWWIWNZ-SFHVURJKSA-N |