2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2H-tetrazole
Chemical Structure Depiction of
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2H-tetrazole
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2H-tetrazole
Compound characteristics
| Compound ID: | 8018-4784 |
| Compound Name: | 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2H-tetrazole |
| Molecular Weight: | 415.24 |
| Molecular Formula: | C18 H15 Br N4 O3 |
| Smiles: | C=CCOc1ccc(cc1)c1nnn(Cc2cc3c(cc2[Br])OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3757 |
| logD: | 4.3757 |
| logSw: | -4.4715 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.875 |
| InChI Key: | BBZKSIJYZGBPNJ-UHFFFAOYSA-N |