methyl 7-(5-bromo-2-methoxyphenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-(5-bromo-2-methoxyphenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 7-(5-bromo-2-methoxyphenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3694 |
| Compound Name: | methyl 7-(5-bromo-2-methoxyphenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 409.24 |
| Molecular Formula: | C16 H17 Br N4 O4 |
| Smiles: | COCC1=C(C(c2cc(ccc2OC)[Br])n2c(N1)ncn2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7254 |
| logD: | 2.3312 |
| logSw: | -3.1852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.825 |
| InChI Key: | ALDGSZBFOORWOG-AWEZNQCLSA-N |