N-(3,4-difluorophenyl)-3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-(3,4-difluorophenyl)-3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K621-0059 |
| Compound Name: | N-(3,4-difluorophenyl)-3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 466.44 |
| Molecular Formula: | C24 H20 F2 N4 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1739 |
| logD: | 2.944 |
| logSw: | -4.5428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.261 |
| InChI Key: | JFVGPKDAYHRQOX-UHFFFAOYSA-N |