3-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-9-propyl-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)-5,7-dimethyl-9-propyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-9-propyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1017 |
| Compound Name: | 3-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-9-propyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 447.29 |
| Molecular Formula: | C18 H19 Br N6 O3 |
| Smiles: | CCCN1C2=C(N(C)C(N(C)C2=O)=O)n2c(c3cc(ccc3OC)[Br])nnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.1991 |
| logD: | 3.1991 |
| logSw: | -3.3167 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.374 |
| InChI Key: | IWQBECAXAXGKMY-UHFFFAOYSA-N |