Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 313.41396 [g/mol] Molecular Formula C18H19NO2S XLogP 2.1 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 5 Tautomer Count 2 Exact Mass 313.11365 MonoIsotopic Mass 313.11365 Topological Polar Surface Area 29.5 Heavy Atom Count 22 Formal Charge 0 Complexity 398 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-one
Canonical SMILES: C1COCCN1CC(=O)C=C(C2=CC=CC=C2)C3=CC=CS3
InChI: InChI=1/C18H19NO2S/c20-16(14-19-8-10-21-11-9-19)13-17(18-7-4-12-22-18)
15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2
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