7-{4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-{4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-{4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8013-2040 |
| Compound Name: | 7-{4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 542.59 |
| Molecular Formula: | C26 H27 F N4 O6 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(c1c(cccc1OC)OC)=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2157 |
| logD: | -0.9705 |
| logSw: | -2.6713 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.264 |
| InChI Key: | OPMGILWNULAXCD-UHFFFAOYSA-N |