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133040-06-9 | Methyl (E)-3-[2-Butyl-1-[(4-Carbomethoxyphenyl)methyl]imidazol-5-yl]-2-(2-thienylmethyl)-2-propenoate
CAS No: 133040-06-9 Catalog No: AG009EYY MDL No:
Product Description
Catalog Number:
AG009EYY
Chemical Name:
Methyl (E)-3-[2-Butyl-1-[(4-Carbomethoxyphenyl)methyl]imidazol-5-yl]-2-(2-thienylmethyl)-2-propenoate
CAS Number:
133040-06-9
IUPAC Name:
methyl 4-[[2-butyl-5-[(E)-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate
InChI:
InChI=1S/C25H28N2O4S/c1-4-5-8-23-26-16-21(14-20(25(29)31-3)15-22-7-6-13-32-22)27(23)17-18-9-11-19(12-10-18)24(28)30-2/h6-7,9-14,16H,4-5,8,15,17H2,1-3H3/b20-14+
InChI Key:
SIBQTSXZPZMBEB-XSFVSMFZSA-N
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
452.177g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.569g/mol
Monoisotopic Mass:
452.177g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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