N-[2-(methylsulfanyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
N-[2-(methylsulfanyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | V030-0556 |
| Compound Name: | N-[2-(methylsulfanyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(C(NCCSC)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0235 |
| logD: | 3.994 |
| logSw: | -4.219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.802 |
| InChI Key: | OMDWYQFVDFIZGE-UHFFFAOYSA-N |