methyl 7-(4-bromophenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 7-(4-bromophenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 7-(4-bromophenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6047-0683 |
| Compound Name: | methyl 7-(4-bromophenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C20 H16 Br N5 O3 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2ccc(cc2)[Br])n2c(NC=1C(=O)OC)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1064 |
| logD: | 3.3323 |
| logSw: | -4.2242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.609 |
| InChI Key: | BCUQXASZCUQCKT-KRWDZBQOSA-N |