methyl 2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1411 |
| Compound Name: | methyl 2-{[2-(3-bromoanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C19 H15 Br N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9968 |
| logD: | 2.6331 |
| logSw: | -4.285 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | DGPYRSKCLWZOHZ-UHFFFAOYSA-N |