methyl 7-chloro-2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 7-chloro-2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 7-chloro-2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0656 |
| Compound Name: | methyl 7-chloro-2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C20 H17 Cl N2 O5 S |
| Smiles: | COC(C1=C(Nc2cc(ccc2C1=O)[Cl])SCC(Nc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6659 |
| logD: | 0.4423 |
| logSw: | -4.1183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.408 |
| InChI Key: | SDIHGCMICARBPW-UHFFFAOYSA-N |