N-[(1Z)-1-(2H-1,3-benzodioxol-5-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]-2-chlorobenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(2H-1,3-benzodioxol-5-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]-2-chlorobenzamide
N-[(1Z)-1-(2H-1,3-benzodioxol-5-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]-2-chlorobenzamide
Compound characteristics
| Compound ID: | K617-0149 |
| Compound Name: | N-[(1Z)-1-(2H-1,3-benzodioxol-5-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]-2-chlorobenzamide |
| Molecular Weight: | 517.97 |
| Molecular Formula: | C28 H24 Cl N3 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2217 |
| logD: | 1.7953 |
| logSw: | -4.5453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.626 |
| InChI Key: | GGSXRSVWUFRYHS-UHFFFAOYSA-N |