1-ethyl-6-fluoro-4-oxo-7-{4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-4-oxo-7-{4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-4-oxo-7-{4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 5182-3582 |
| Compound Name: | 1-ethyl-6-fluoro-4-oxo-7-{4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 540.61 |
| Molecular Formula: | C27 H29 F N4 O5 S |
| Smiles: | CCCOc1ccc(cc1)C(NC(N1CCN(CC1)c1cc2c(cc1F)C(C(=CN2CC)C(O)=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6524 |
| logD: | 0.4662 |
| logSw: | -3.3229 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.421 |
| InChI Key: | MSQBFQCMPMQZRX-UHFFFAOYSA-N |