ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate
ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V004-2333 |
| Compound Name: | ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 538.69 |
| Molecular Formula: | C30 H42 N4 O5 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(N3CCC(CC3)C(=O)OCC)=O)C(C=2C(c2ccc(C)cc2C)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.293 |
| logD: | 4.2185 |
| logSw: | -4.0847 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.226 |
| InChI Key: | SNRSYFSCCJYDKG-UHFFFAOYSA-N |