7-[(2,5-dimethylphenyl)methyl]-2-[3-(4-fluorophenoxy)propyl]-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,5H)-dione
Chemical Structure Depiction of
7-[(2,5-dimethylphenyl)methyl]-2-[3-(4-fluorophenoxy)propyl]-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,5H)-dione
7-[(2,5-dimethylphenyl)methyl]-2-[3-(4-fluorophenoxy)propyl]-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,5H)-dione
Compound characteristics
| Compound ID: | S448-0299 |
| Compound Name: | 7-[(2,5-dimethylphenyl)methyl]-2-[3-(4-fluorophenoxy)propyl]-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,5H)-dione |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C23 H25 F N4 O3 |
| Smiles: | Cc1ccc(C)c(CN2CCN3C(C2=O)=NN(CCCOc2ccc(cc2)F)C3=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5149 |
| logD: | 4.5149 |
| logSw: | -4.1992 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.028 |
| InChI Key: | QCLDRVDFXOZSIT-UHFFFAOYSA-N |