methyl 6-chloro-2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 6-chloro-2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0703 |
| Compound Name: | methyl 6-chloro-2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 438.84 |
| Molecular Formula: | C19 H13 Cl F2 N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2C1=O)[Cl])SCC(Nc1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2839 |
| logD: | 1.1422 |
| logSw: | -4.5191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | KPEYQDSTGPDSSS-UHFFFAOYSA-N |