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78311-89-4 | N-[4-[(E)-[1-(2-METHOXY-4-NITRO-PHENYL)-2-METHYL-5-OXO-IMIDAZOL-4-YLIDENE]METHYL]PHENYL]ACETAMIDE
CAS No: 78311-89-4 Catalog No: AG0053Q3 MDL No:
Product Description
Catalog Number:
AG0053Q3
Chemical Name:
N-[4-[(E)-[1-(2-METHOXY-4-NITRO-PHENYL)-2-METHYL-5-OXO-IMIDAZOL-4-YLIDENE]METHYL]PHENYL]ACETAMIDE
CAS Number:
78311-89-4
Molecular Formula:
C20H18N4O5
Molecular Weight:
394.3807
IUPAC Name:
N-[4-[[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl]acetamide
InChI:
InChI=1S/C20H18N4O5/c1-12-21-17(10-14-4-6-15(7-5-14)22-13(2)25)20(26)23(12)18-9-8-16(24(27)28)11-19(18)29-3/h4-11H,1-3H3,(H,22,25)
InChI Key:
NZMKGPPIMCRFKX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N1C(=N/C(=C/c2ccc(cc2)NC(=O)C)/C1=O)C)[N+](=O)[O-]
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.128g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.387g/mol
Monoisotopic Mass:
394.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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