N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]-4-methylbenzamide
N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | K617-0111 |
| Compound Name: | N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]-4-methylbenzamide |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C31 H31 N3 O4 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/C=C/c1ccccc1OC)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0542 |
| logD: | 3.0435 |
| logSw: | -4.6995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.141 |
| InChI Key: | HXLAZQRNUVLFLK-UHFFFAOYSA-N |