3,4-dimethoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
3,4-dimethoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | K617-0191 |
| Compound Name: | 3,4-dimethoxy-N-[(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 589.65 |
| Molecular Formula: | C32 H35 N3 O8 |
| Smiles: | COc1ccc(cc1OC)C(NC(=C/c1cc(c(c(c1)OC)OC)OC)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.243 |
| logD: | 2.7867 |
| logSw: | -3.5814 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.749 |
| InChI Key: | MCBATGBGELZUBL-UHFFFAOYSA-N |