N-[3-(morpholin-4-yl)propyl]-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-(morpholin-4-yl)propyl]-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-(morpholin-4-yl)propyl]-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: | K621-0001 |
| Compound Name: | N-[3-(morpholin-4-yl)propyl]-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: | 481.55 |
| Molecular Formula: | C25 H31 N5 O5 |
| Smiles: | C(CNC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)CN1CCOCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6787 |
| logD: | 1.2905 |
| logSw: | -2.2554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.315 |
| InChI Key: | LYRACOKDWFKDEF-UHFFFAOYSA-N |