prop-2-en-1-yl 7-(3-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 7-(3-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 7-(3-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3734 |
| Compound Name: | prop-2-en-1-yl 7-(3-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 375.22 |
| Molecular Formula: | C16 H15 Br N4 O2 |
| Smiles: | CC1=C(C(c2cccc(c2)[Br])n2c(N1)ncn2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2804 |
| logD: | 3.0984 |
| logSw: | -3.3918 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.038 |
| InChI Key: | ZMKYZGSSWADITC-AWEZNQCLSA-N |