4-oxo-6-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
4-oxo-6-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)-1,4-dihydroquinoline-3-carboxylic acid
4-oxo-6-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | K781-1732 |
| Compound Name: | 4-oxo-6-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-sulfonyl)-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | C1C2CN3C(=CC=CC3=O)C1CN(C2)S(c1ccc2c(c1)C(C(=CN2)C(O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1731 |
| logD: | -1.5041 |
| logSw: | -2.5552 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.176 |
| InChI Key: | OXJDXWCANSILPL-UHFFFAOYSA-N |