ethyl 1-{2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanoyl}piperidine-4-carboxylate
ethyl 1-{2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V012-6241 |
| Compound Name: | ethyl 1-{2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 570.69 |
| Molecular Formula: | C33 H38 N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C(Cc1ccccc1)N1CC2=C(C(c3ccc(C)cc3)NC(N2CC=C)=O)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1579 |
| logD: | 4.1389 |
| logSw: | -3.997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.208 |
| InChI Key: | CRLYIARKUYHTIH-UHFFFAOYSA-N |