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80617-54-5 | Benzamide, 3,4,5-triethoxy-N-[[(2-ethoxyphenyl)amino]thioxomethyl]-
CAS No: 80617-54-5 Catalog No: AG005KEJ MDL No:
Product Description
Catalog Number:
AG005KEJ
Chemical Name:
Benzamide, 3,4,5-triethoxy-N-[[(2-ethoxyphenyl)amino]thioxomethyl]-
CAS Number:
80617-54-5
Molecular Formula:
C22H28N2O5S
Molecular Weight:
432.5331
IUPAC Name:
3,4,5-triethoxy-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
InChI:
InChI=1S/C22H28N2O5S/c1-5-26-17-12-10-9-11-16(17)23-22(30)24-21(25)15-13-18(27-6-2)20(29-8-4)19(14-15)28-7-3/h9-14H,5-8H2,1-4H3,(H2,23,24,25,30)
InChI Key:
QEUBDLACZSKUDF-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccccc1OCC
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.172g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.535g/mol
Monoisotopic Mass:
432.172g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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