3-(4-tert-butylbenzamido)-N-[2-(methylsulfanyl)phenyl]-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-(4-tert-butylbenzamido)-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-(4-tert-butylbenzamido)-N-[2-(methylsulfanyl)phenyl]-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: | K781-1675 |
| Compound Name: | 3-(4-tert-butylbenzamido)-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 606.79 |
| Molecular Formula: | C36 H38 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccccc1SC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2908 |
| logD: | 6.726 |
| logSw: | -5.589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.876 |
| InChI Key: | NLLNMZFKPNQLBS-UHFFFAOYSA-N |