(2E)-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
(2E)-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3-phenylprop-2-enamide
(2E)-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K781-0961 |
| Compound Name: | (2E)-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3-phenylprop-2-enamide |
| Molecular Weight: | 550.7 |
| Molecular Formula: | C34 H38 N4 O3 |
| Smiles: | CCC1CCCCN1C(c1ccc(c(c1)NC(/C=C/c1ccccc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9326 |
| logD: | 5.9312 |
| logSw: | -5.5401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.563 |
| InChI Key: | NZMITGJZNHEDPD-UHFFFAOYSA-N |