ethyl 1-{[1-ethyl-2,5-dioxo-4-(thiophen-3-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-{[1-ethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-4-carboxylate
ethyl 1-{[1-ethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V029-8620 |
| Compound Name: | ethyl 1-{[1-ethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}piperidine-4-carboxylate |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C22 H28 N4 O5 S |
| Smiles: | CCN1C2CN(CC(N3CCC(CC3)C(=O)OCC)=O)C(C=2C(c2ccsc2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1297 |
| logD: | 1.1287 |
| logSw: | -2.3638 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.626 |
| InChI Key: | WKAZZKZQHXQANL-IBGZPJMESA-N |