3-[2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
3-[2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
3-[2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | 5800-0217 |
| Compound Name: | 3-[2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)quinolin-1(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 495.66 |
| Molecular Formula: | C17 H18 N2 O5 S2 |
| Salt: | (C2H5)3N |
| Smiles: | CCN1C(/C(=C2\C=Cc3ccccc3N2CCCS(O)(=O)=O)OC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9135 |
| logD: | -8.5128 |
| logSw: | -2.0148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.303 |
| InChI Key: | MSZQTOOQNSMRCD-PFONDFGASA-N |