tert-butyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
tert-butyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
tert-butyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | F103-0414 |
| Compound Name: | tert-butyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 422.28 |
| Molecular Formula: | C17 H20 Br N5 O3 |
| Smiles: | CC1=C(C(c2ccc(c(c2)[Br])OC)n2c(N1)nnn2)C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3259 |
| logD: | 2.3692 |
| logSw: | -3.7151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.96 |
| InChI Key: | KLVOGSUHRYKELB-AWEZNQCLSA-N |