5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-1054 |
| Compound Name: | 5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 445.31 |
| Molecular Formula: | C20 H21 Br N4 O3 |
| Smiles: | COc1ccc(C2CC(c3cccc(c3)[Br])Nc3ncnn23)c(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0897 |
| logD: | 4.0896 |
| logSw: | -4.3492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.133 |
| InChI Key: | QBQMXPXFOJGJTB-UHFFFAOYSA-N |