4-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | C200-7478 |
| Compound Name: | 4-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 530.52 |
| Molecular Formula: | C25 H21 F3 N4 O4 S |
| Smiles: | COc1ccc(CCN2C3=NN(Cc4cccc(c4)C(F)(F)F)C(N3c3ccsc3C2=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4221 |
| logD: | 4.4221 |
| logSw: | -4.4166 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.193 |
| InChI Key: | XCCXHBVXFCRNQI-UHFFFAOYSA-N |