9-[(4-bromophenyl)methyl]-3-(4-ethoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-[(4-bromophenyl)methyl]-3-(4-ethoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(4-bromophenyl)methyl]-3-(4-ethoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1071 |
| Compound Name: | 9-[(4-bromophenyl)methyl]-3-(4-ethoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 495.33 |
| Molecular Formula: | C22 H19 Br N6 O3 |
| Smiles: | CCOc1ccc(cc1)c1nnc2N(Cc3ccc(cc3)[Br])C3=C(N(C)C(NC3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.4079 |
| logD: | 4.4061 |
| logSw: | -4.1914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.531 |
| InChI Key: | XJCMOGMHADQANW-UHFFFAOYSA-N |