2-chloro-N-[(1Z)-1-[4-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-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: | K617-0150 |
| Compound Name: | 2-chloro-N-[(1Z)-1-[4-(methylsulfanyl)phenyl]-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: | 520.05 |
| Molecular Formula: | C28 H26 Cl N3 O3 S |
| Smiles: | CSc1ccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2ccccc2[Cl])=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0442 |
| logD: | 2.3146 |
| logSw: | -5.0836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | YIROXTLYBIUOBZ-UHFFFAOYSA-N |