N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(methylsulfanyl)phenyl]-N-[(pyridin-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(methylsulfanyl)phenyl]-N-[(pyridin-2-yl)methyl]thiourea
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(methylsulfanyl)phenyl]-N-[(pyridin-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1375 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(methylsulfanyl)phenyl]-N-[(pyridin-2-yl)methyl]thiourea |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C24 H27 N3 O2 S2 |
| Smiles: | COc1ccc(CCN(Cc2ccccn2)C(Nc2cccc(c2)SC)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3402 |
| logD: | 4.3401 |
| logSw: | -4.2936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.21 |
| InChI Key: | ONWPXSKVUZACPX-UHFFFAOYSA-N |