N-[(1Z)-1-(2,5-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(2,5-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-4-methoxybenzamide
N-[(1Z)-1-(2,5-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | K617-0169 |
| Compound Name: | N-[(1Z)-1-(2,5-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-4-methoxybenzamide |
| Molecular Weight: | 529.59 |
| Molecular Formula: | C30 H31 N3 O6 |
| Smiles: | COc1ccc(cc1)C(NC(=C/c1cc(ccc1OC)OC)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0399 |
| logD: | 3.3636 |
| logSw: | -4.3069 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.228 |
| InChI Key: | KNNADIQDNGPJEK-UHFFFAOYSA-N |