octyl 5-methyl-7-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 5-methyl-7-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
octyl 5-methyl-7-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0485 |
| Compound Name: | octyl 5-methyl-7-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | CCCCCCCCOC(C1C(c2ccc(C)cc2)n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5355 |
| logD: | 4.5788 |
| logSw: | -5.2579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.515 |
| InChI Key: | WHRCIROFTGHXFG-IBGZPJMESA-N |