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163136-19-4 | 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]-, (2Z)-
CAS No: 163136-19-4 Catalog No: AG001TSG MDL No:
Product Description
Catalog Number:
AG001TSG
Chemical Name:
2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]-, (2Z)-
CAS Number:
163136-19-4
Molecular Formula:
C36H36N2O8
Molecular Weight:
624.6796
IUPAC Name:
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]prop-2-enamide
InChI:
InChI=1S/C36H36N2O8/c1-44-32-22-27(7-14-30(32)41)23-34(36(43)38-20-18-25-5-12-29(40)13-6-25)46-31-15-8-26(21-33(31)45-2)9-16-35(42)37-19-17-24-3-10-28(39)11-4-24/h3-16,21-23,39-41H,17-20H2,1-2H3,(H,37,42)(H,38,43)/b16-9+,34-23-
InChI Key:
JCUQMHMUDDMCSX-AADBSILNSA-N
SMILES:
COc1cc(/C=C/C(=O)NCCc2ccc(cc2)O)ccc1O/C(=C\c1ccc(c(c1)OC)O)/C(=O)NCCc1ccc(cc1)O
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
624.247g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
624.69g/mol
Monoisotopic Mass:
624.247g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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