ethyl 1-{2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-3-carboxylate
ethyl 1-{2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V004-7259 |
| Compound Name: | ethyl 1-{2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-3-carboxylate |
| Molecular Weight: | 537.44 |
| Molecular Formula: | C25 H30 Cl2 N4 O5 |
| Smiles: | CCN1C2CN(C(C)C(N3CCCC(C3)C(=O)OCC)=O)C(C=2C(c2ccc(cc2[Cl])[Cl])NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3262 |
| logD: | 3.2858 |
| logSw: | -3.6219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.575 |
| InChI Key: | JYQHWRMZDAKERE-UHFFFAOYSA-N |