4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
Chemical Structure Depiction of
4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
Compound characteristics
| Compound ID: | 8013-0718 |
| Compound Name: | 4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C21 H17 N3 O4 |
| Smiles: | CN1C(c2c(cn(c3ccc(cc3)C(O)=O)c2c2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2723 |
| logD: | 0.3862 |
| logSw: | -3.4599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.195 |
| InChI Key: | PAZKCZNOGJMQJS-UHFFFAOYSA-N |