3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K621-0056 |
| Compound Name: | 3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1[N+]([O-])=O)C(NCc1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4582 |
| logD: | 3.4581 |
| logSw: | -3.9303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.601 |
| InChI Key: | JEHWPKISKIPDKC-UHFFFAOYSA-N |