2-fluoro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)benzoic acid
Chemical Structure Depiction of
2-fluoro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)benzoic acid
2-fluoro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | K751-0003 |
| Compound Name: | 2-fluoro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)benzoic acid |
| Molecular Weight: | 392.4 |
| Molecular Formula: | C18 H17 F N2 O5 S |
| Smiles: | C1C2CN3C(=CC=CC3=O)C1CN(C2)S(c1ccc(c(c1)C(O)=O)F)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5511 |
| logD: | -2.747 |
| logSw: | -2.7665 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.056 |
| InChI Key: | ATYIDLZCEFKPTL-UHFFFAOYSA-N |