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Home > Nitro Compounds > 302603-24-3
302603-24-3 | N-{1-Butylcarbamoyl-2-[5-(4-nitro-phenyl)-furan-2--yl]-vinyl}-4-methyl-benzamide
CAS No: 302603-24-3 Catalog No: AG01F29X MDL No:MFCD00525846
Product Description
Catalog Number:
AG01F29X
Chemical Name:
N-{1-Butylcarbamoyl-2-[5-(4-nitro-phenyl)-furan-2--yl]-vinyl}-4-methyl-benzamide
CAS Number:
302603-24-3
Molecular Formula:
C25H25N3O5
Molecular Weight:
447.4831
MDL Number:
MFCD00525846
IUPAC Name:
N-[(Z)-3-(butylamino)-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
InChI:
InChI=1S/C25H25N3O5/c1-3-4-15-26-25(30)22(27-24(29)19-7-5-17(2)6-8-19)16-21-13-14-23(33-21)18-9-11-20(12-10-18)28(31)32/h5-14,16H,3-4,15H2,1-2H3,(H,26,30)(H,27,29)/b22-16-
InChI Key:
RJEVELVOTASIMJ-JWGURIENSA-N
SMILES:
CCCCNC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
447.179g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.491g/mol
Monoisotopic Mass:
447.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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