ethyl 1-{[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]acetyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{[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]acetyl}piperidine-4-carboxylate
ethyl 1-{[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]acetyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V020-2255 |
| Compound Name: | ethyl 1-{[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]acetyl}piperidine-4-carboxylate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C26 H32 N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(CN1CC2=C(C(c3ccc(C)cc3)NC(N2CC=C)=O)C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9281 |
| logD: | 1.9091 |
| logSw: | -2.4939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.861 |
| InChI Key: | RFQNMPFKIIVTRY-QHCPKHFHSA-N |