2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
Compound characteristics
| Compound ID: | F366-0166 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione |
| Molecular Weight: | 488.47 |
| Molecular Formula: | C26 H21 F N4 O5 |
| Smiles: | COc1ccc(cc1OC)C(CN1C(N2C(=N1)N(Cc1ccc(cc1)F)C(c1ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3961 |
| logD: | 3.3961 |
| logSw: | -3.9373 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.443 |
| InChI Key: | PBBVRROSTCUCJK-UHFFFAOYSA-N |