N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9279 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-(propan-2-yl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C29 H30 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)Sc1cc(C(NCCc2ccc(c(c2)OC)OC)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6576 |
| logD: | 6.6576 |
| logSw: | -5.9037 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.174 |
| InChI Key: | WOVKSJBDEDSCQR-UHFFFAOYSA-N |