N-[(1E)-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]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[(1E)-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]cyclohexanecarboxamide
N-[(1E)-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]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | K617-0154 |
| Compound Name: | N-[(1E)-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]cyclohexanecarboxamide |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C30 H37 N3 O6 |
| Smiles: | COc1cc(\C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(C2CCCCC2)=O)cc(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9129 |
| logD: | 3.4257 |
| logSw: | -4.0805 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.68 |
| InChI Key: | VMNCNWIVQFVYOA-UHFFFAOYSA-N |