ethyl 1-{[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-3-carboxylate
ethyl 1-{[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V004-7237 |
| Compound Name: | ethyl 1-{[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-3-carboxylate |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C25 H32 N4 O7 |
| Smiles: | CCOC(C1CCCN(C1)C(CN1CC2=C(C(c3cccc(c3OC)OC)NC(N2C)=O)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7751 |
| logD: | 0.7611 |
| logSw: | -1.8712 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.929 |
| InChI Key: | NYEDZMLNPMNOEC-UHFFFAOYSA-N |