benzyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C550-0021 |
| Compound Name: | benzyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 426.27 |
| Molecular Formula: | C19 H16 Br N5 O2 |
| Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)nnn2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9971 |
| logD: | 3.2608 |
| logSw: | -4.3018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.324 |
| InChI Key: | HIWBJNWYVIZOJL-KRWDZBQOSA-N |