7-(4-{[(4-chlorophenyl)acetyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-(4-{[(4-chlorophenyl)acetyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-(4-{[(4-chlorophenyl)acetyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 5182-3585 |
| Compound Name: | 7-(4-{[(4-chlorophenyl)acetyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 531 |
| Molecular Formula: | C25 H24 Cl F N4 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(Cc1ccc(cc1)[Cl])=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1498 |
| logD: | -0.0364 |
| logSw: | -3.1748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.79 |
| InChI Key: | YVZDPMOQPJVICD-UHFFFAOYSA-N |