N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0138 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | Cc1nnc(Sc2cc(C(NCCc3ccc(c(c3)OC)OC)=O)c3ccccc3n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9034 |
| logD: | 3.9034 |
| logSw: | -4.0866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.846 |
| InChI Key: | XSVJAGMNLVUHRU-UHFFFAOYSA-N |