methyl 2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1314 |
| Compound Name: | methyl 2-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C21 H19 Cl N2 O5 S |
| Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1ccc(c(c1)[Cl])OC)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1636 |
| logD: | 2.6833 |
| logSw: | -4.4017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.494 |
| InChI Key: | PYBQLHUFZZTDRY-UHFFFAOYSA-N |