2-Propen-1-one, 3-(2-(2-oxo-2-(2-thienyl)ethyl)-5-phenyl-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-
Basic information
- CAS
132334-17-9- Standard SMILES
O=C(/C=C/N1N=C(c2ccccc2)SC1CC(=O)c1cccs1)c1cccs1- InChIKey
IJZBICJUVSGOAZ-ZHACJKMWSA-N- Molecular formula
- C21H16N2O2S3
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.03739128
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(2-(2-oxo-2-(2-thienyl)ethyl)-5-phenyl-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-
- IUPAC
- (E)-3-[2-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-2H-1,3,4-thiadiazol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
Names & synonyms
2-Propen-1-one, 3-(2-(2-oxo-2-(2-thienyl)ethyl)-5-phenyl-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-132334-17-9RefChem:1064411BRN 35709373-Thenoylvinyl-2-thenoylmethyl-5-phenyl-delta(sup 4)-1,3,4-thiadiazoline
Database identifiers
- CAS
132334-17-9- PubChem CID
- 6449239
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 646
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Compound notes
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