3-[4-(4-acetylpiperazine-1-carbonyl)-2-nitrophenyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[4-(4-acetylpiperazine-1-carbonyl)-2-nitrophenyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[4-(4-acetylpiperazine-1-carbonyl)-2-nitrophenyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | K621-0016 |
| Compound Name: | 3-[4-(4-acetylpiperazine-1-carbonyl)-2-nitrophenyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C24 H27 N5 O5 |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4565 |
| logD: | 1.4565 |
| logSw: | -1.9501 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.013 |
| InChI Key: | QSLQOOCVCNGJLZ-UHFFFAOYSA-N |