ethyl 1-{[4-(2-chlorophenyl)-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-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[4-(2-chlorophenyl)-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-3-carboxylate
ethyl 1-{[4-(2-chlorophenyl)-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-3-carboxylate
Compound characteristics
| Compound ID: | V009-0481 |
| Compound Name: | ethyl 1-{[4-(2-chlorophenyl)-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-3-carboxylate |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C25 H29 Cl N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(CN1CC2=C(C(c3ccccc3[Cl])NC(N2CC=C)=O)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2481 |
| logD: | 2.2291 |
| logSw: | -3.0988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.795 |
| InChI Key: | OOAAZFIDUYCYQY-UHFFFAOYSA-N |