N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C072-0143 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C27 H26 N2 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1cc(C(NCCc2ccc(c(c2)OC)OC)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7428 |
| logD: | 5.7428 |
| logSw: | -5.6326 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.174 |
| InChI Key: | YXJHNPXRQVDTIQ-UHFFFAOYSA-N |