4-chloro-N-[(1Z)-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]benzamide
Chemical Structure Depiction of
4-chloro-N-[(1Z)-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]benzamide
4-chloro-N-[(1Z)-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]benzamide
Compound characteristics
| Compound ID: | K617-0176 |
| Compound Name: | 4-chloro-N-[(1Z)-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]benzamide |
| Molecular Weight: | 477.95 |
| Molecular Formula: | C26 H24 Cl N3 O4 |
| Smiles: | Cc1ccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2ccc(cc2)[Cl])=O)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2965 |
| logD: | 3.179 |
| logSw: | -4.6068 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.773 |
| InChI Key: | HTCKKZHPESCFOJ-UHFFFAOYSA-N |