1-(1H-benzimidazol-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(1H-benzimidazol-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
1-(1H-benzimidazol-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
Compound characteristics
Compound ID: | Y032-0972 |
Compound Name: | 1-(1H-benzimidazol-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one |
Molecular Weight: | 292.29 |
Molecular Formula: | C17 H12 N2 O3 |
Smiles: | C1Oc2ccc(/C=C/C(n3cnc4ccccc34)=O)cc2O1 |
Stereo: | ACHIRAL |
logP: | 2.8826 |
logD: | 2.8826 |
logSw: | -3.1162 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.666 |
InChI Key: | CMMBAPNNFHHQLX-UHFFFAOYSA-N |