tert-butyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
tert-butyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
tert-butyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | F103-0431 |
| Compound Name: | tert-butyl 7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 392.25 |
| Molecular Formula: | C16 H18 Br N5 O2 |
| Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)nnn2)C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7408 |
| logD: | 2.7841 |
| logSw: | -4.0737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.33 |
| InChI Key: | YHWVXKZXKTUUCH-ZDUSSCGKSA-N |