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1166-34-3 | 2-Propenamide, N-[2-[[3-(dimethylamino)propyl]thio]phenyl]-3-phenyl-
CAS No: 1166-34-3 Catalog No: AG000CV6 MDL No:
Product Description
Catalog Number:
AG000CV6
Chemical Name:
2-Propenamide, N-[2-[[3-(dimethylamino)propyl]thio]phenyl]-3-phenyl-
CAS Number:
1166-34-3
Molecular Formula:
C20H24N2OS
Molecular Weight:
340.4824
IUPAC Name:
(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
InChI:
InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
InChI Key:
RSUVYMGADVXGOU-BUHFOSPRSA-N
SMILES:
CN(CCCSc1ccccc1NC(=O)C=Cc1ccccc1)C
UNII:
KI6J9OY7A3
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
340.161g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.485g/mol
Monoisotopic Mass:
340.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
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|---|---|
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