ethyl 4-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
ethyl 4-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K621-0028 |
| Compound Name: | ethyl 4-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C25 H29 N5 O6 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3521 |
| logD: | 2.3521 |
| logSw: | -2.7239 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.598 |
| InChI Key: | RTGOLQOWCGOTKR-UHFFFAOYSA-N |