3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | K781-1263 |
| Compound Name: | 3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 600.76 |
| Molecular Formula: | C38 H40 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N(CC=C)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4005 |
| logD: | 7.2217 |
| logSw: | -5.6114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.083 |
| InChI Key: | ULZOKYAFKNDWGC-UHFFFAOYSA-N |