methyl 7-(2,5-dimethoxyphenyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 7-(2,5-dimethoxyphenyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 7-(2,5-dimethoxyphenyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0102 |
| Compound Name: | methyl 7-(2,5-dimethoxyphenyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C25 H27 N5 O5 |
| Smiles: | CC1=C(C(c2cc(ccc2OC)OC)n2c(N1)nc(C(=O)OC)n2)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0985 |
| logD: | 4.0855 |
| logSw: | -4.2383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.79 |
| InChI Key: | MZQQHWWKBOEXSH-NRFANRHFSA-N |