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1378524-41-4 | Benzamide, N-[(2E)-3-(2-fluorophenyl)-2-methyl-2-propen-1-yl]-3,4,5-trimethoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-
CAS No: 1378524-41-4 Catalog No: AG0013XX MDL No:MFCD29036981
Product Description
Catalog Number:
AG0013XX
Chemical Name:
Benzamide, N-[(2E)-3-(2-fluorophenyl)-2-methyl-2-propen-1-yl]-3,4,5-trimethoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-
CAS Number:
1378524-41-4
Molecular Formula:
C27H35FN2O4
Molecular Weight:
470.5762
MDL Number:
MFCD29036981
IUPAC Name:
N-[(E)-3-(2-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
InChI:
InChI=1S/C27H35FN2O4/c1-19(15-20-9-6-7-11-23(20)28)18-30(14-12-22-10-8-13-29(22)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6-7,9,11,15-17,22H,8,10,12-14,18H2,1-5H3/b19-15+
InChI Key:
JVRRRKAXHMGUHZ-XDJHFCHBSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)N(C/C(=C/c1ccccc1F)/C)CCC1CCCN1C
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
470.258g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.585g/mol
Monoisotopic Mass:
470.258g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Synthesis, modeling and functional activity of substituted styrene-amides as small-molecule CXCR7 agonists. | European journal of medicinal chemistry 20120501 |
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