N-(5-chloro-2,4-dimethoxyphenyl)-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-(5-chloro-2,4-dimethoxyphenyl)-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-(5-chloro-2,4-dimethoxyphenyl)-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: | K621-0026 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-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: | 524.96 |
| Molecular Formula: | C26 H25 Cl N4 O6 |
| Smiles: | COc1cc(c(cc1NC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3143 |
| logD: | 3.1095 |
| logSw: | -4.6342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.824 |
| InChI Key: | MKBWPRQIHODWEM-UHFFFAOYSA-N |