methyl 6-acetyl-7-(4-tert-butylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-acetyl-7-(4-tert-butylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-acetyl-7-(4-tert-butylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6047-0621 |
| Compound Name: | methyl 6-acetyl-7-(4-tert-butylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | CC(C1C(c2ccc(cc2)C(C)(C)C)n2c(NC=1C(=O)OC)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9623 |
| logD: | 0.7139 |
| logSw: | -3.329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.968 |
| InChI Key: | RUQRACZDVJCADH-OAHLLOKOSA-N |