N-(5-chloro-2-methylphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzamide
N-(5-chloro-2-methylphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzamide
Compound characteristics
| Compound ID: | K781-1686 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzamide |
| Molecular Weight: | 579.1 |
| Molecular Formula: | C34 H31 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)NC(/C=C/c1ccccc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6797 |
| logD: | 6.6484 |
| logSw: | -6.2284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.662 |
| InChI Key: | CHSGPDPMGYZDHA-UHFFFAOYSA-N |