methyl 6-[(2,4-dimethylphenyl)carbamoyl]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 6-[(2,4-dimethylphenyl)carbamoyl]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 6-[(2,4-dimethylphenyl)carbamoyl]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0042 |
| Compound Name: | methyl 6-[(2,4-dimethylphenyl)carbamoyl]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)n2c(N1)nc(C(=O)OC)n2)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9004 |
| logD: | 3.8873 |
| logSw: | -3.9767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.16 |
| InChI Key: | DRUNTIHZPWTBOT-FQEVSTJZSA-N |