3-{4-[4-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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: | K621-0062 |
| Compound Name: | 3-{4-[4-(4-methoxyphenyl)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: | 529.6 |
| Molecular Formula: | C29 H31 N5 O5 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5535 |
| logD: | 3.5535 |
| logSw: | -3.9129 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.622 |
| InChI Key: | IBDQKYMNNJHMFP-UHFFFAOYSA-N |