9-butyl-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-butyl-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-butyl-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1081 |
| Compound Name: | 9-butyl-3-(4-ethoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | CCCCN1C2=C(N(C)C(N(C)C2=O)=O)n2c(c3ccc(cc3)OCC)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.5714 |
| logD: | 3.5714 |
| logSw: | -3.3254 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.867 |
| InChI Key: | WSTDGPPRIHECJM-UHFFFAOYSA-N |