methyl 6-benzoyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-benzoyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-benzoyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6047-0653 |
| Compound Name: | methyl 6-benzoyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 440.25 |
| Molecular Formula: | C19 H14 Br N5 O3 |
| Smiles: | COC(C1=C(C(c2ccc(cc2)[Br])n2c(N1)nnn2)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5779 |
| logD: | 2.8039 |
| logSw: | -3.6205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.609 |
| InChI Key: | NLBXMQCNWFMSLD-INIZCTEOSA-N |