5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1H-tetrazole
Chemical Structure Depiction of
5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1H-tetrazole
5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1H-tetrazole
Compound characteristics
| Compound ID: | 8016-7011 |
| Compound Name: | 5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(2-methoxyphenyl)-1H-tetrazole |
| Molecular Weight: | 421.27 |
| Molecular Formula: | C16 H13 Br N4 O3 S |
| Smiles: | COc1ccccc1n1c(nnn1)SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.9745 |
| logD: | 3.9745 |
| logSw: | -4.0944 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.334 |
| InChI Key: | TWXLIYYAFZPYAA-UHFFFAOYSA-N |