2-chloro-N-[(1Z)-1-(furan-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]-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[(1Z)-1-(furan-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]-4-nitrobenzamide
2-chloro-N-[(1Z)-1-(furan-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]-4-nitrobenzamide
Compound characteristics
| Compound ID: | K617-0163 |
| Compound Name: | 2-chloro-N-[(1Z)-1-(furan-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]-4-nitrobenzamide |
| Molecular Weight: | 508.92 |
| Molecular Formula: | C25 H21 Cl N4 O6 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1ccco1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5948 |
| logD: | 1.6159 |
| logSw: | -4.2462 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.64 |
| InChI Key: | PEPQYIVLOASBKD-UHFFFAOYSA-N |