4-[(thiophen-2-yl)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-[(thiophen-2-yl)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(thiophen-2-yl)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: | F816-0402 |
| Compound Name: | 4-[(thiophen-2-yl)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: | 462.47 |
| Molecular Formula: | C20 H13 F3 N4 O2 S2 |
| Smiles: | C(c1cccs1)N1C2=NN(Cc3cccc(c3)C(F)(F)F)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4623 |
| logD: | 4.4623 |
| logSw: | -4.4774 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.972 |
| InChI Key: | DWXLDQBLLYLTMM-UHFFFAOYSA-N |