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76306-56-4 | Benzamide, N-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-
CAS No: 76306-56-4 Catalog No: AG0056EW MDL No:
Product Description
Catalog Number:
AG0056EW
Chemical Name:
Benzamide, N-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-
CAS Number:
76306-56-4
Molecular Formula:
C25H27NO5
Molecular Weight:
421.4856
IUPAC Name:
N-[1,2-bis(3,4-dimethoxyphenyl)ethyl]benzamide
InChI:
InChI=1S/C25H27NO5/c1-28-21-12-10-17(15-23(21)30-3)14-20(26-25(27)18-8-6-5-7-9-18)19-11-13-22(29-2)24(16-19)31-4/h5-13,15-16,20H,14H2,1-4H3,(H,26,27)
InChI Key:
VDCJPLUTASUKSO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)CC(c1ccc(c(c1)OC)OC)NC(=O)c1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.189g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.493g/mol
Monoisotopic Mass:
421.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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