methyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1302 |
| Compound Name: | methyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 461.33 |
| Molecular Formula: | C20 H17 Br N2 O4 S |
| Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1ccc(cc1)[Br])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4869 |
| logD: | 3.0065 |
| logSw: | -4.2925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | VGNZFLSITLXESR-UHFFFAOYSA-N |