3-(4-ethoxyphenyl)-9-[(4-fluorophenyl)methyl]-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-9-[(4-fluorophenyl)methyl]-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-ethoxyphenyl)-9-[(4-fluorophenyl)methyl]-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1094 |
| Compound Name: | 3-(4-ethoxyphenyl)-9-[(4-fluorophenyl)methyl]-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C23 H21 F N6 O3 |
| Smiles: | CCOc1ccc(cc1)c1nnc2N(Cc3ccc(cc3)F)C3=C(N(C)C(N(C)C3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.9389 |
| logD: | 3.9389 |
| logSw: | -3.9396 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.617 |
| InChI Key: | YRPRSHSKMVVTNV-UHFFFAOYSA-N |