ethyl 4-{[3,4-dioxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)cyclobut-1-en-1-yl]amino}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3,4-dioxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)cyclobut-1-en-1-yl]amino}piperidine-1-carboxylate
ethyl 4-{[3,4-dioxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)cyclobut-1-en-1-yl]amino}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C748-0253 |
| Compound Name: | ethyl 4-{[3,4-dioxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)cyclobut-1-en-1-yl]amino}piperidine-1-carboxylate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C23 H28 N4 O5 |
| Smiles: | CCOC(N1CCC(CC1)NC1=C(C(C1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0417 |
| logD: | 2.0409 |
| logSw: | -2.1366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.063 |
| InChI Key: | ZKBZQQKVVUBOEM-UHFFFAOYSA-N |