2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0164 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 440.88 |
| Molecular Formula: | C21 H14 Cl F N4 O2 S |
| Smiles: | C(c1ccc(cc1)F)N1C2=NN(Cc3ccc(cc3)[Cl])C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6729 |
| logD: | 4.6729 |
| logSw: | -4.9429 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.954 |
| InChI Key: | CADQYHYUQIHMHQ-UHFFFAOYSA-N |