3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K784-9518 |
| Compound Name: | 3-[(3-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide |
| Molecular Weight: | 643.08 |
| Molecular Formula: | C31 H26 Cl F3 N4 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1cccc(c1)[Cl])(=O)=O)C(NCc1c(cc(cc1F)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.821 |
| logD: | 3.7288 |
| logSw: | -6.0575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.454 |
| InChI Key: | FHUPZUVWWLINKN-UHFFFAOYSA-N |