1-{3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-4-methylphenyl}-1H-tetrazole
Chemical Structure Depiction of
1-{3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-4-methylphenyl}-1H-tetrazole
1-{3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-4-methylphenyl}-1H-tetrazole
Compound characteristics
| Compound ID: | 8020-8830 |
| Compound Name: | 1-{3-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-4-methylphenyl}-1H-tetrazole |
| Molecular Weight: | 389.21 |
| Molecular Formula: | C16 H13 Br N4 O3 |
| Smiles: | Cc1ccc(cc1OCc1cc2c(cc1[Br])OCO2)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8084 |
| logD: | 3.8084 |
| logSw: | -3.9956 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.433 |
| InChI Key: | NRRFMWHSVNBWNV-UHFFFAOYSA-N |