N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[3-(trifluoromethyl)phenyl]thiourea
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | 8010-4122 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 575.58 |
| Molecular Formula: | C28 H25 F4 N3 O4 S |
| Smiles: | COc1ccc(CCN(C2CC(N(C2=O)c2ccc(cc2)F)=O)C(Nc2cccc(c2)C(F)(F)F)=S)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7864 |
| logD: | 4.7864 |
| logSw: | -4.6381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.376 |
| InChI Key: | CJEUYABCGRBNJS-QFIPXVFZSA-N |