N-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-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: | K621-0013 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-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: | 494.93 |
| Molecular Formula: | C25 H23 Cl N4 O5 |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3279 |
| logD: | 4.1409 |
| logSw: | -4.6616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.891 |
| InChI Key: | AEVUZGNLBIHNFR-UHFFFAOYSA-N |