ethyl 1-{3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate
ethyl 1-{3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V004-2319 |
| Compound Name: | ethyl 1-{3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 560.65 |
| Molecular Formula: | C31 H36 N4 O6 |
| Smiles: | CCN1C2CN(CCC(N3CCC(CC3)C(=O)OCC)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1553 |
| logD: | 3.1503 |
| logSw: | -3.4489 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.334 |
| InChI Key: | SJHUXIOBMAKFJH-NDEPHWFRSA-N |