N-(2,3-dimethylcyclohexyl)-3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-(2,3-dimethylcyclohexyl)-3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K784-7944 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 581.76 |
| Molecular Formula: | C35 H43 N5 O3 |
| Smiles: | CCc1ccc(cc1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NC1CCCC(C)C1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7175 |
| logD: | 6.7166 |
| logSw: | -5.5594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.223 |
| InChI Key: | XXOMCZAAFNBPDW-UHFFFAOYSA-N |