methyl 6-[(4-chlorophenyl)carbamoyl]-7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 6-[(4-chlorophenyl)carbamoyl]-7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 6-[(4-chlorophenyl)carbamoyl]-7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0087 |
| Compound Name: | methyl 6-[(4-chlorophenyl)carbamoyl]-7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 483.91 |
| Molecular Formula: | C23 H22 Cl N5 O5 |
| Smiles: | CC1=C(C(c2cccc(c2OC)OC)n2c(N1)nc(C(=O)OC)n2)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6985 |
| logD: | 3.6856 |
| logSw: | -4.3481 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.661 |
| InChI Key: | WIERJWVANNPTRW-SFHVURJKSA-N |