cyclohexyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
cyclohexyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
cyclohexyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0005 |
| Compound Name: | cyclohexyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C19 H21 Br N4 O2 |
| Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)ncn2)C(=O)OC1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8212 |
| logD: | 4.5329 |
| logSw: | -4.5201 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.074 |
| InChI Key: | VLGGBANUPWLZLZ-KRWDZBQOSA-N |