3,4-dimethyl-N-[(2E,4E)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-phenylpenta-2,4-dien-2-yl]benzamide
Chemical Structure Depiction of
3,4-dimethyl-N-[(2E,4E)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-phenylpenta-2,4-dien-2-yl]benzamide
3,4-dimethyl-N-[(2E,4E)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-phenylpenta-2,4-dien-2-yl]benzamide
Compound characteristics
| Compound ID: | K617-0070 |
| Compound Name: | 3,4-dimethyl-N-[(2E,4E)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-phenylpenta-2,4-dien-2-yl]benzamide |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C31 H31 N3 O3 |
| Smiles: | Cc1ccc(cc1C)C(NC(=C\C=C\c1ccccc1)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6234 |
| logD: | 3.0777 |
| logSw: | -5.4736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | HSDXBMWGWFFHTL-UHFFFAOYSA-N |