1-ethyl-6-fluoro-4-oxo-7-{4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-4-oxo-7-{4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-4-oxo-7-{4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8013-2043 |
| Compound Name: | 1-ethyl-6-fluoro-4-oxo-7-{4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C28 H33 F N4 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(C12CC3CC(CC(C3)C2)C1)=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3794 |
| logD: | 1.1932 |
| logSw: | -3.8907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.037 |
| InChI Key: | JUGJNAIDTYGORN-UHFFFAOYSA-N |