3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide

Chemical Structure Depiction of
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Available: 44 mg
Amount:
mg
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Compound characteristics

Compound ID: 4277-0024
Compound Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Molecular Weight: 356.4
Molecular Formula: C17 H16 N4 O3 S
Smiles: CC(C)Cc1nnc(NC(C(=C/c2ccc3c(c2)OCO3)\C#N)=O)s1
Stereo: ACHIRAL
logP: 3.98
logD: 2.05
logSw: -4.87
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 180.57
InChI Key: NMHJASZSUWRLJY-UHFFFAOYSA-N
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