prop-2-en-1-yl 7-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3863 |
| Compound Name: | prop-2-en-1-yl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 405.25 |
| Molecular Formula: | C17 H17 Br N4 O3 |
| Smiles: | CC1=C(C(c2cc(ccc2OC)[Br])n2c(N1)ncn2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3494 |
| logD: | 3.1673 |
| logSw: | -3.579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.668 |
| InChI Key: | CSLGSBUCAHADPX-HNNXBMFYSA-N |