3-(4-bromophenyl)-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(4-bromophenyl)-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-bromophenyl)-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0436 |
| Compound Name: | 3-(4-bromophenyl)-9-(2-methoxyethyl)-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: | CN1C2=C(C(NC1=O)=O)N(CCOC)c1nnc(c3ccc(cc3)[Br])n12 |
| Stereo: | ACHIRAL |
| logP: | 2.2578 |
| logD: | 2.2536 |
| logSw: | -2.8439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75 |
| InChI Key: | XJWKBSADFYNDBD-UHFFFAOYSA-N |