3-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxyphenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(5-bromo-2-methoxyphenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0985 |
| Compound Name: | 3-(5-bromo-2-methoxyphenyl)-9-ethyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 419.24 |
| Molecular Formula: | C16 H15 Br N6 O3 |
| Smiles: | CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3cc(ccc3OC)[Br])nnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.3739 |
| logD: | 2.3697 |
| logSw: | -3.1934 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.034 |
| InChI Key: | WWNHIANKHVMBPL-UHFFFAOYSA-N |