methyl 2-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1408 |
| Compound Name: | methyl 2-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C20 H17 F N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8992 |
| logD: | 1.5355 |
| logSw: | -3.68 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.186 |
| InChI Key: | LWDDVUXRHNVGSG-UHFFFAOYSA-N |