3-methoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
3-methoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
3-methoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | K617-0097 |
| Compound Name: | 3-methoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | COc1cccc(c1)C(NC(=C/c1cccnc1)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7719 |
| logD: | 1.1649 |
| logSw: | -3.1405 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.572 |
| InChI Key: | CBBZFZJGJCQXPN-UHFFFAOYSA-N |