3-{[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8011 |
| Compound Name: | 3-{[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 477.48 |
| Molecular Formula: | C24 H23 N5 O6 |
| Smiles: | COc1ccc(cc1)C1C=CC(N(CC(N2CC3C[C@@H](C2)CN2C3=CC=C(C2=O)[N+]([O-])=O)=O)N=1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2493 |
| logD: | 2.2493 |
| logSw: | -2.4633 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.013 |
| InChI Key: | UPEZJILVAAMOOJ-LDCVWXEPSA-N |