ethyl 1-{[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-4-carboxylate
ethyl 1-{[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V006-7159 |
| Compound Name: | ethyl 1-{[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-4-carboxylate |
| Molecular Weight: | 532.6 |
| Molecular Formula: | C29 H32 N4 O6 |
| Smiles: | CCOC(C1CCN(CC1)C(CN1CC2=C(C(c3cccc(c3)Oc3ccccc3)NC(N2C)=O)C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4838 |
| logD: | 2.4698 |
| logSw: | -2.9351 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.396 |
| InChI Key: | XFGLDASLDFXVAV-AREMUKBSSA-N |