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Home > Bromides > 1800044-74-9
1800044-74-9 | Benzamide, N-[(1Z)-2-bromo-2-(2-furanyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1800044-74-9 Catalog No: AG0021LR MDL No:
Product Description
Catalog Number:
AG0021LR
Chemical Name:
Benzamide, N-[(1Z)-2-bromo-2-(2-furanyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1800044-74-9
Molecular Formula:
C19H19BrN2O3
Molecular Weight:
403.2698
IUPAC Name:
N-[(Z)-1-bromo-1-(furan-2-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C19H19BrN2O3/c20-16(15-10-7-13-25-15)17(19(24)22-11-5-2-6-12-22)21-18(23)14-8-3-1-4-9-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,23)/b17-16-
InChI Key:
XVHWOVMCEHSPIL-MSUUIHNZSA-N
SMILES:
O=C(c1ccccc1)N/C(=C(/c1ccco1)\Br)/C(=O)N1CCCCC1
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
402.058g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.276g/mol
Monoisotopic Mass:
402.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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