methyl 5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | K832-3314 |
| Compound Name: | methyl 5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 501.34 |
| Molecular Formula: | C22 H21 Br N4 O5 |
| Smiles: | COC(c1nc2NC(=CC(c3ccc(c(c3OC)OC)OC)n2n1)c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5352 |
| logD: | 4.4785 |
| logSw: | -4.4791 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.897 |
| InChI Key: | ACPDCUWCRKKJHP-MRXNPFEDSA-N |