N-[(1E)-3-[(2E)-2-({4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[(1E)-3-[(2E)-2-({4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
N-[(1E)-3-[(2E)-2-({4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | K087-0543 |
| Compound Name: | N-[(1E)-3-[(2E)-2-({4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 645.76 |
| Molecular Formula: | C38 H39 N5 O5 |
| Smiles: | CCOc1ccc(/C=N/NC(/C(=C\c2ccc(cc2)OC)NC(c2ccccc2)=O)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3827 |
| logD: | 5.3827 |
| logSw: | -5.4077 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.664 |
| InChI Key: | BFBCGMBXMZGPHT-UHFFFAOYSA-N |