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113528-07-7 | Benzamide, 3,4,5-triethoxy-N-[(2-naphthalenylamino)thioxomethyl]-
CAS No: 113528-07-7 Catalog No: AG0008WA MDL No:
Product Description
Catalog Number:
AG0008WA
Chemical Name:
Benzamide, 3,4,5-triethoxy-N-[(2-naphthalenylamino)thioxomethyl]-
CAS Number:
113528-07-7
Molecular Formula:
C24H26N2O4S
Molecular Weight:
438.5392
IUPAC Name:
3,4,5-triethoxy-N-(naphthalen-2-ylcarbamothioyl)benzamide
InChI:
InChI=1S/C24H26N2O4S/c1-4-28-20-14-18(15-21(29-5-2)22(20)30-6-3)23(27)26-24(31)25-19-12-11-16-9-7-8-10-17(16)13-19/h7-15H,4-6H2,1-3H3,(H2,25,26,27,31)
InChI Key:
VZJLLIGDFWRFDR-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc2c(c1)cccc2
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.161g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.542g/mol
Monoisotopic Mass:
438.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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