2-chloro-N-[(1Z)-1-(4-chlorophenyl)-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]benzamide
Chemical Structure Depiction of
2-chloro-N-[(1Z)-1-(4-chlorophenyl)-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]benzamide
2-chloro-N-[(1Z)-1-(4-chlorophenyl)-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]benzamide
Compound characteristics
| Compound ID: | K617-0147 |
| Compound Name: | 2-chloro-N-[(1Z)-1-(4-chlorophenyl)-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]benzamide |
| Molecular Weight: | 508.4 |
| Molecular Formula: | C27 H23 Cl2 N3 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1ccc(cc1)[Cl])NC(c1ccccc1[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9197 |
| logD: | 2.1901 |
| logSw: | -5.0319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | CFALZLLAZCMSJE-UHFFFAOYSA-N |