2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)-2H-tetrazole
Chemical Structure Depiction of
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)-2H-tetrazole
2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)-2H-tetrazole
Compound characteristics
| Compound ID: | 8017-4467 |
| Compound Name: | 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)-2H-tetrazole |
| Molecular Weight: | 389.21 |
| Molecular Formula: | C16 H13 Br N4 O3 |
| Smiles: | COc1ccc(cc1)c1nnn(Cc2cc3c(cc2[Br])OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.825 |
| logD: | 3.825 |
| logSw: | -4.0943 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.001 |
| InChI Key: | NXMPPYSULWOGLX-UHFFFAOYSA-N |