Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 382.99094 [g/mol] Molecular Formula C20H31ClN2OS XLogP 8.3 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 12 Tautomer Count 5 Exact Mass 382.184562 MonoIsotopic Mass 382.184562 Topological Polar Surface Area 41.5 Heavy Atom Count 25 Formal Charge 0 Complexity 403 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-[[(3-chloro-4-methylphenyl)amino]-sulfanylmethylidene]dodecanamide
Canonical SMILES: CCCCCCCCCCCC(=O)N=C(NC1=CC(=C(C=C1)C)Cl)S
InChI: InChI=1/C20H31ClN2OS/c1-3-4-5-6-7-8-9-10-11-12-19(24)23-20(25)22-17-14-
13-16(2)18(21)15-17/h13-15H,3-12H2,1-2H3,(H2,22,23,24,25)/f/h22,
25H/b23-20-
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