2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-2H-tetrazole
Chemical Structure Depiction of
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-2H-tetrazole
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-2H-tetrazole
Compound characteristics
| Compound ID: | 8018-4458 |
| Compound Name: | 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-2H-tetrazole |
| Molecular Weight: | 373.21 |
| Molecular Formula: | C16 H13 Br N4 O2 |
| Smiles: | Cc1cccc(c1)c1nnn(Cc2cc3c(cc2[Br])OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2119 |
| logD: | 4.2119 |
| logSw: | -4.3915 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.457 |
| InChI Key: | SCLDMRCJEZVRQS-UHFFFAOYSA-N |