octyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
octyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0403 |
| Compound Name: | octyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C20 H26 Br N5 O2 |
| Smiles: | CCCCCCCCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.946 |
| logD: | 4.9893 |
| logSw: | -5.3438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.515 |
| InChI Key: | PACSCUPPZPJBRE-SFHVURJKSA-N |