benzyl 7-(5-bromo-2-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-(5-bromo-2-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 7-(5-bromo-2-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 7249-0052 |
| Compound Name: | benzyl 7-(5-bromo-2-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 484.35 |
| Molecular Formula: | C22 H22 Br N5 O3 |
| Smiles: | CCCOc1ccc(cc1C1C(=C(C)Nc2nnnn12)C(=O)OCc1ccccc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1659 |
| logD: | 4.4295 |
| logSw: | -5.1868 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.829 |
| InChI Key: | ITEMIGDXVSLFMS-FQEVSTJZSA-N |