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114170-98-8 | 2-Propenamide, N-[[(4-bromophenyl)amino]thioxomethyl]-3-phenyl-
CAS No: 114170-98-8 Catalog No: AG000AQ0 MDL No:
Product Description
Catalog Number:
AG000AQ0
Chemical Name:
2-Propenamide, N-[[(4-bromophenyl)amino]thioxomethyl]-3-phenyl-
CAS Number:
114170-98-8
Molecular Formula:
C16H13BrN2OS
Molecular Weight:
361.2562
IUPAC Name:
N-[(4-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
InChI:
InChI=1S/C16H13BrN2OS/c17-13-7-9-14(10-8-13)18-16(21)19-15(20)11-6-12-4-2-1-3-5-12/h1-11H,(H2,18,19,20,21)
InChI Key:
BTWKAPRQJCWYBF-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)Br)NC(=O)C=Cc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.993g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.257g/mol
Monoisotopic Mass:
359.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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