3-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-N-(4-ethoxyphenyl)-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
3-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-N-(4-ethoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-N-(4-ethoxyphenyl)-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: | K622-0279 |
| Compound Name: | 3-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-N-(4-ethoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 658.82 |
| Molecular Formula: | C36 H42 N4 O6 S |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(c(c1)NS(CC12CCC(CC1=O)C2(C)C)(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9017 |
| logD: | 2.8408 |
| logSw: | -5.4389 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.975 |
| InChI Key: | PJASRMNOXOBXBZ-UHFFFAOYSA-N |