ethyl 4-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
ethyl 4-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | 8018-2804 |
| Compound Name: | ethyl 4-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 470.32 |
| Molecular Formula: | C22 H20 Br N3 O4 |
| Smiles: | CCOC(c1ccc(cc1)N1CC2=C(C(c3ccc(cc3)[Br])NC(N2C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8304 |
| logD: | 3.344 |
| logSw: | -3.9822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.81 |
| InChI Key: | AVVGMCAYPZVEHF-LJQANCHMSA-N |