3-(2-chloro-6-fluorophenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(2-chloro-6-fluorophenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(2-chloro-6-fluorophenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0027 |
| Compound Name: | 3-(2-chloro-6-fluorophenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 362.75 |
| Molecular Formula: | C15 H12 Cl F N6 O2 |
| Smiles: | CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3c(cccc3[Cl])F)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.0852 |
| logD: | 2.081 |
| logSw: | -3.3072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.404 |
| InChI Key: | OEPSDIGFQHIXHY-UHFFFAOYSA-N |