methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0012 |
| Compound Name: | methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C22 H20 Cl N5 O3 |
| Smiles: | CC1=C(C(c2ccc(C)cc2)n2c(N1)nc(C(=O)OC)n2)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2553 |
| logD: | 4.2423 |
| logSw: | -4.7928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.314 |
| InChI Key: | XMNBMVRCBGQAOG-SFHVURJKSA-N |