4-methoxy-N-[(1E)-1-(5-methylfuran-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methoxy-N-[(1E)-1-(5-methylfuran-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-3-nitrobenzamide
4-methoxy-N-[(1E)-1-(5-methylfuran-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K617-0011 |
| Compound Name: | 4-methoxy-N-[(1E)-1-(5-methylfuran-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 518.53 |
| Molecular Formula: | C27 H26 N4 O7 |
| Smiles: | Cc1ccc(\C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2ccc(c(c2)[N+]([O-])=O)OC)=O)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2005 |
| logD: | 2.1793 |
| logSw: | -3.6706 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.484 |
| InChI Key: | QWMKKDDNRDXUGM-UHFFFAOYSA-N |