ethyl 1-(3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-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-[2-(trifluoromethyl)phenyl]-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-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V013-8410 |
| Compound Name: | ethyl 1-(3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoyl)piperidine-4-carboxylate |
| Molecular Weight: | 536.55 |
| Molecular Formula: | C26 H31 F3 N4 O5 |
| Smiles: | CCN1C2CN(CCC(N3CCC(CC3)C(=O)OCC)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.366 |
| logD: | 2.2916 |
| logSw: | -2.9492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.586 |
| InChI Key: | IFMKNCOWRRUVGO-JOCHJYFZSA-N |