2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-2H-tetrazole
Chemical Structure Depiction of
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-2H-tetrazole
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-2H-tetrazole
Compound characteristics
| Compound ID: | 8018-5647 |
| Compound Name: | 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-2H-tetrazole |
| Molecular Weight: | 449.26 |
| Molecular Formula: | C18 H17 Br N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnn(Cc2cc3c(cc2[Br])OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.325 |
| logD: | 3.325 |
| logSw: | -3.4079 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.435 |
| InChI Key: | URNQDAATAXIFDN-UHFFFAOYSA-N |