N-[(1Z)-1-(2,4-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]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(2,4-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]-3,4-dimethylbenzamide
N-[(1Z)-1-(2,4-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]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | K617-0059 |
| Compound Name: | N-[(1Z)-1-(2,4-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]-3,4-dimethylbenzamide |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C31 H33 N3 O5 |
| Smiles: | Cc1ccc(cc1C)C(NC(=C/c1ccc(cc1OC)OC)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9934 |
| logD: | 3.1671 |
| logSw: | -4.6423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.684 |
| InChI Key: | ZXURODCOMUTQIE-UHFFFAOYSA-N |