3-{4-[4-(4-fluorophenyl)piperazine-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-(4-fluorophenyl)piperazine-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-(4-fluorophenyl)piperazine-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: | K621-0053 |
| Compound Name: | 3-{4-[4-(4-fluorophenyl)piperazine-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: | 517.56 |
| Molecular Formula: | C28 H28 F N5 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6002 |
| logD: | 3.6002 |
| logSw: | -3.8481 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.078 |
| InChI Key: | SJCVLVHXRPJRDO-UHFFFAOYSA-N |