N-[2-(benzylsulfanyl)ethyl]-3-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-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-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-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-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-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: | K622-0135 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 688.91 |
| Molecular Formula: | C37 H44 N4 O5 S2 |
| Smiles: | CC1(C)C2CCC1(CS(Nc1cc(ccc1N1CC3CC(C1)C1=CC=CC(N1C3)=O)C(NCCSCc1ccccc1)=O)(=O)=O)C(C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6571 |
| logD: | 3.2336 |
| logSw: | -5.4552 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.015 |
| InChI Key: | GXKRGIRORKOJHC-UHFFFAOYSA-N |