methyl 2-{[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0789 |
| Compound Name: | methyl 2-{[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | Cc1ccc(c(c1)NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0257 |
| logD: | 1.662 |
| logSw: | -3.5453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.797 |
| InChI Key: | QBYWTHHXNRXFMF-UHFFFAOYSA-N |