3-(4-ethylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-ethylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-(4-ethylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C688-1173 |
| Compound Name: | 3-(4-ethylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C26 H19 F3 N2 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c(c3ccccc3s2)N(Cc2cccc(c2)C(F)(F)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7839 |
| logD: | 6.7839 |
| logSw: | -5.9759 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.559 |
| InChI Key: | RMXCBXRTKNYSGB-UHFFFAOYSA-N |