butyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
butyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
butyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0449 |
| Compound Name: | butyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 421.29 |
| Molecular Formula: | C18 H21 Br N4 O3 |
| Smiles: | CCCCOC(C1C(c2cc(ccc2OC)[Br])n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3297 |
| logD: | 4.0414 |
| logSw: | -4.301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.668 |
| InChI Key: | CTZSPGHJGGGJDY-INIZCTEOSA-N |