methyl 2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0744 |
| Compound Name: | methyl 2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C20 H18 N2 O4 S |
| Smiles: | Cc1ccccc1NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9836 |
| logD: | 1.6199 |
| logSw: | -3.6089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.166 |
| InChI Key: | YILMSEYTDVBWMI-UHFFFAOYSA-N |