N-cyclohexyl-N-methyl-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-cyclohexyl-N-methyl-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-cyclohexyl-N-methyl-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: | K621-0040 |
Compound Name: | N-cyclohexyl-N-methyl-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: | 450.54 |
Molecular Formula: | C25 H30 N4 O4 |
Smiles: | CN(C1CCCCC1)C(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.7495 |
logD: | 3.7495 |
logSw: | -4.0578 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 67.372 |
InChI Key: | DVMQAKCUZDNLAU-UHFFFAOYSA-N |