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74804-81-2 | Benzamide, 3,4,5-triethoxy-N-[[(phenylmethyl)amino]thioxomethyl]-
CAS No: 74804-81-2 Catalog No: AG005GY5 MDL No:
Product Description
Catalog Number:
AG005GY5
Chemical Name:
Benzamide, 3,4,5-triethoxy-N-[[(phenylmethyl)amino]thioxomethyl]-
CAS Number:
74804-81-2
Molecular Formula:
C21H26N2O4S
Molecular Weight:
402.5071
IUPAC Name:
N-(benzylcarbamothioyl)-3,4,5-triethoxybenzamide
InChI:
InChI=1S/C21H26N2O4S/c1-4-25-17-12-16(13-18(26-5-2)19(17)27-6-3)20(24)23-21(28)22-14-15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3,(H2,22,23,24,28)
InChI Key:
AFMUTQYPLKOQSP-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)NCc1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.161g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.509g/mol
Monoisotopic Mass:
402.161g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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