N-[2-(benzylsulfanyl)ethyl]-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)benzamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-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)benzamide
N-[2-(benzylsulfanyl)ethyl]-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)benzamide
Compound characteristics
| Compound ID: | K781-1426 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-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)benzamide |
| Molecular Weight: | 634.84 |
| Molecular Formula: | C38 H42 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCSCc1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1613 |
| logD: | 6.9535 |
| logSw: | -5.5875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.737 |
| InChI Key: | WMYANOJFCVEZAC-UHFFFAOYSA-N |