N-[2-(2-chlorophenyl)ethyl]-3-[(4-fluorobenzene-1-sulfonyl)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-(2-chlorophenyl)ethyl]-3-[(4-fluorobenzene-1-sulfonyl)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-(2-chlorophenyl)ethyl]-3-[(4-fluorobenzene-1-sulfonyl)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: | K784-5724 |
| Compound Name: | N-[2-(2-chlorophenyl)ethyl]-3-[(4-fluorobenzene-1-sulfonyl)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: | 621.13 |
| Molecular Formula: | C32 H30 Cl F N4 O4 S |
| Smiles: | C(CNC(c1ccc(c(c1)NS(c1ccc(cc1)F)(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1ccccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4437 |
| logD: | 2.9335 |
| logSw: | -5.9661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.296 |
| InChI Key: | GVNQAWMAGDYBFJ-UHFFFAOYSA-N |