ethyl 1-{2-[4-(2-chlorophenyl)-1-methyl-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-chlorophenyl)-1-methyl-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-chlorophenyl)-1-methyl-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: | V004-4766 |
| Compound Name: | ethyl 1-{2-[4-(2-chlorophenyl)-1-methyl-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: | 531.05 |
| Molecular Formula: | C27 H35 Cl N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C(CC(C)C)N1CC2=C(C(c3ccccc3[Cl])NC(N2C)=O)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2147 |
| logD: | 3.1717 |
| logSw: | -3.5187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.267 |
| InChI Key: | YIYOQEXGNJNGEY-UHFFFAOYSA-N |