3-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
Compound ID: | 3337-3546 |
Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
Molecular Weight: | 411.27 |
Molecular Formula: | C19 H11 Br N2 O2 S |
Smiles: | C1Oc2ccc(/C=C(/C#N)c3nc(cs3)c3cccc(c3)[Br])cc2O1 |
Stereo: | ACHIRAL |
logP: | 6.0593 |
logD: | 6.0593 |
logSw: | -6.2637 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 43.873 |
InChI Key: | PBGOKNQJGHPWIC-UHFFFAOYSA-N |