7-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0072 |
| Compound Name: | 7-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 554.64 |
| Molecular Formula: | C28 H31 F N4 O5 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(N1CCN(CC1)c1cc2c(cc1F)C(C(=CN2CC)C(O)=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9155 |
| logD: | 1.7293 |
| logSw: | -4.0347 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.872 |
| InChI Key: | LWLLKFQLJLFCBE-UHFFFAOYSA-N |