3-(methoxycarbonyl)-2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-7-carboxylic acid
Chemical Structure Depiction of
3-(methoxycarbonyl)-2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-7-carboxylic acid
3-(methoxycarbonyl)-2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-7-carboxylic acid
Compound characteristics
| Compound ID: | G023-1478 |
| Compound Name: | 3-(methoxycarbonyl)-2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-7-carboxylic acid |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H18 N2 O6 S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=C(C(c2ccc(cc2N1)C(O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.555 |
| logD: | 0.4526 |
| logSw: | -3.7124 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.272 |
| InChI Key: | HXMDTYICCYYSFZ-UHFFFAOYSA-N |