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(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide

PubChem CID: 73349612

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Compound Synonyms CHEMBL2442636, (2E,4E,6E)-N-Isobutyl-7-(2-thienyl)-2,4,6-heptatrienamide, BDBM50493984, (2E,4E,6E)-N-(2-methylpropyl)-7-thiophen-2-ylhepta-2,4,6-trienamide
Topological Polar Surface Area 57.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 331.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P32300, P42866, P47936, P47746
Iupac Name (2E,4E,6E)-N-(2-methylpropyl)-7-thiophen-2-ylhepta-2,4,6-trienamide
Prediction Hob 1.0
Xlogp 4.0
Molecular Formula C15H19NOS
Prediction Swissadme 1.0
Inchi Key HGIRIKHYYMPDAG-IZMYCKBJSA-N
Fcsp3 0.2666666666666666
Logs -4.196
Rotatable Bond Count 6.0
Logd 3.691
Compound Name (2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
Prediction Hob Swissadme 1.0
Exact Mass 261.119
Formal Charge 0.0
Monoisotopic Mass 261.119
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 261.399
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 3.0
Esol -3.9917735555555556
Inchi InChI=1S/C15H19NOS/c1-13(2)12-16-15(17)10-6-4-3-5-8-14-9-7-11-18-14/h3-11,13H,12H2,1-2H3,(H,16,17)/b4-3+,8-5+,10-6+
Smiles CC(C)CNC(=O)/C=C/C=C/C=C/C1=CC=CS1
Nring 1.0
Defined Bond Stereocenter Count 3.0