N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | K621-0054 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | 488.5 |
| Molecular Formula: | C26 H24 N4 O6 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7899 |
| logD: | 2.7614 |
| logSw: | -3.5442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.084 |
| InChI Key: | IHNJASKMDVZFLF-UHFFFAOYSA-N |