N-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-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: | K622-0047 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-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: | 663.24 |
| Molecular Formula: | C35 H39 Cl N4 O5 S |
| Smiles: | CC1(C)C2CCC1(CS(Nc1cc(ccc1N1CC3CC(C1)C1=CC=CC(N1C3)=O)C(NCc1cccc(c1)[Cl])=O)(=O)=O)C(C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.896 |
| logD: | 3.4725 |
| logSw: | -6.0103 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.174 |
| InChI Key: | UVQTVFBMUXNXOE-UHFFFAOYSA-N |