methyl 7-(3-bromophenyl)-6-[(2-methoxyphenyl)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-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 7-(3-bromophenyl)-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0081 |
| Compound Name: | methyl 7-(3-bromophenyl)-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 498.33 |
| Molecular Formula: | C22 H20 Br N5 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)[Br])n2c(N1)nc(C(=O)OC)n2)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0348 |
| logD: | 4.0217 |
| logSw: | -4.1947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.247 |
| InChI Key: | GMLACHWTJUZTCJ-SFHVURJKSA-N |