ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | D077-0373 |
| Compound Name: | ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C23 H20 N4 O6 |
| Smiles: | CCOC(c1ccccc1n1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9104 |
| logD: | 3.9104 |
| logSw: | -4.1326 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.622 |
| InChI Key: | PVGAYOFLIBLAIG-UHFFFAOYSA-N |