2-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | C200-7481 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 475.33 |
| Molecular Formula: | C21 H13 Cl2 F N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])N1C2=NN(Cc3c(cccc3[Cl])F)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2479 |
| logD: | 5.2479 |
| logSw: | -5.806 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.954 |
| InChI Key: | QFLVGKBKWXXRNK-UHFFFAOYSA-N |