methyl 2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1406 |
| Compound Name: | methyl 2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(NCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2395 |
| logD: | 1.8758 |
| logSw: | -3.8943 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.027 |
| InChI Key: | DLTNHAUCPBKDCT-UHFFFAOYSA-N |