1-cyclopropyl-7-{4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl}-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-cyclopropyl-7-{4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl}-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-cyclopropyl-7-{4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl}-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8016-1186 |
| Compound Name: | 1-cyclopropyl-7-{4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl}-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 563.43 |
| Molecular Formula: | C25 H21 Cl2 F N4 O4 S |
| Smiles: | C1CC1N1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(c1ccc(cc1[Cl])[Cl])=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2847 |
| logD: | 1.0985 |
| logSw: | -3.8207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.725 |
| InChI Key: | YWOGAZVRHJBILZ-UHFFFAOYSA-N |