4-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(4-chlorophenyl)methyl]-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: | F816-0335 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 490.89 |
| Molecular Formula: | C22 H14 Cl F3 N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])N1C2=NN(Cc3cccc(c3)C(F)(F)F)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4007 |
| logD: | 5.4007 |
| logSw: | -6.1085 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.954 |
| InChI Key: | STODDEDLZKWGNL-UHFFFAOYSA-N |