methyl 7-(3-bromophenyl)-6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 7-(3-bromophenyl)-6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 7-(3-bromophenyl)-6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0078 |
| Compound Name: | methyl 7-(3-bromophenyl)-6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 502.75 |
| Molecular Formula: | C21 H17 Br Cl N5 O3 |
| Smiles: | CC1=C(C(c2cccc(c2)[Br])n2c(N1)nc(C(=O)OC)n2)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6782 |
| logD: | 4.6652 |
| logSw: | -4.9091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.314 |
| InChI Key: | VCQYILAMXOKFTB-KRWDZBQOSA-N |