methyl 6-[(2,4-dimethylphenyl)carbamoyl]-7-(2-fluorophenyl)-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-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 6-[(2,4-dimethylphenyl)carbamoyl]-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0067 |
| Compound Name: | methyl 6-[(2,4-dimethylphenyl)carbamoyl]-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C23 H22 F N5 O3 |
| Smiles: | CC1=C(C(c2ccccc2F)n2c(N1)nc(C(=O)OC)n2)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1047 |
| logD: | 4.0957 |
| logSw: | -4.2069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.616 |
| InChI Key: | JZLCBXRBBFVKQC-IBGZPJMESA-N |