3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-6-(4-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-6-(4-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-6-(4-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole
Compound characteristics
Compound ID: | D727-0654 |
Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-6-(4-bromophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole |
Molecular Weight: | 430.28 |
Molecular Formula: | C18 H12 Br N3 O3 S |
Smiles: | C(c1nnc2n1cc(c1ccc(cc1)[Br])s2)Oc1ccc2c(c1)OCO2 |
Stereo: | ACHIRAL |
logP: | 4.1784 |
logD: | 4.1784 |
logSw: | -4.3521 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.014 |
InChI Key: | YBRHQWVVVRJKTH-UHFFFAOYSA-N |