2-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(methoxycarbonyl)-4-oxo-1,4-dihydroquinoline-7-carboxylic acid
Chemical Structure Depiction of
2-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(methoxycarbonyl)-4-oxo-1,4-dihydroquinoline-7-carboxylic acid
2-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(methoxycarbonyl)-4-oxo-1,4-dihydroquinoline-7-carboxylic acid
Compound characteristics
| Compound ID: | G023-1464 |
| Compound Name: | 2-{[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(methoxycarbonyl)-4-oxo-1,4-dihydroquinoline-7-carboxylic acid |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C22 H20 N2 O6 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSC1=C(C(c2ccc(cc2N1)C(O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1728 |
| logD: | 0.0704 |
| logSw: | -3.2667 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.574 |
| InChI Key: | VHZUAQVXHLJXCJ-UHFFFAOYSA-N |