N-methyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
N-methyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide
N-methyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | J078-1116 |
| Compound Name: | N-methyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | CNC(C1=CC(N(CC(Nc2cccc(c2)SC)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8901 |
| logD: | 1.8901 |
| logSw: | -3.0445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.604 |
| InChI Key: | VMAXMRLRQJFNJT-UHFFFAOYSA-N |