1-ethyl-6-fluoro-4-oxo-7-{4-[(9H-xanthene-9-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-4-oxo-7-{4-[(9H-xanthene-9-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-4-oxo-7-{4-[(9H-xanthene-9-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8015-6590 |
| Compound Name: | 1-ethyl-6-fluoro-4-oxo-7-{4-[(9H-xanthene-9-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 586.64 |
| Molecular Formula: | C31 H27 F N4 O5 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(C1c2ccccc2Oc2ccccc12)=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9138 |
| logD: | -5.0023 |
| logSw: | -3.5885 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.817 |
| InChI Key: | XUKHZTSOLQEOLM-UHFFFAOYSA-N |