4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-{[3-(trifluoromethyl)benzene-1-sulfonyl]amino}benzoic acid
Chemical Structure Depiction of
4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-{[3-(trifluoromethyl)benzene-1-sulfonyl]amino}benzoic acid
4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-{[3-(trifluoromethyl)benzene-1-sulfonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | K784-8080 |
| Compound Name: | 4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-{[3-(trifluoromethyl)benzene-1-sulfonyl]amino}benzoic acid |
| Molecular Weight: | 533.53 |
| Molecular Formula: | C25 H22 F3 N3 O5 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1cccc(c1)C(F)(F)F)(=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6973 |
| logD: | 1.6908 |
| logSw: | -4.5421 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.449 |
| InChI Key: | URXCGEFZTUOVDK-UHFFFAOYSA-N |