2-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]pyrrolidine-1-carbothioamide
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]pyrrolidine-1-carbothioamide
2-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]pyrrolidine-1-carbothioamide
Compound characteristics
| Compound ID: | K788-7639 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]pyrrolidine-1-carbothioamide |
| Molecular Weight: | 388.55 |
| Molecular Formula: | C20 H24 N2 O2 S2 |
| Smiles: | COc1ccc(cc1OC)C1CCCN1C(Nc1cccc(c1)SC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2221 |
| logD: | 4.2221 |
| logSw: | -4.2929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.1859 |
| InChI Key: | AYBZGLZXPJDKNH-KRWDZBQOSA-N |