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102187-19-9 | 2-Naphthalenecarboxamide, 4-[[4-(diethylamino)-2-methylphenyl]imino]-1,4-dihydro-1-oxo-N-phenyl-
CAS No: 102187-19-9 Catalog No: AG0006UQ MDL No:MFCD00191571
Product Description
Catalog Number:
AG0006UQ
Chemical Name:
2-Naphthalenecarboxamide, 4-[[4-(diethylamino)-2-methylphenyl]imino]-1,4-dihydro-1-oxo-N-phenyl-
CAS Number:
102187-19-9
Molecular Formula:
C28H27N3O2
Molecular Weight:
437.5329
MDL Number:
MFCD00191571
IUPAC Name:
4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide
InChI:
InChI=1S/C28H27N3O2/c1-4-31(5-2)21-15-16-25(19(3)17-21)30-26-18-24(27(32)23-14-10-9-13-22(23)26)28(33)29-20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,29,33)
InChI Key:
ZYKBEIDPRRYKKQ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)C)N=C1C=C(C(=O)Nc2ccccc2)C(=O)c2c1cccc2)CC
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.21g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.543g/mol
Monoisotopic Mass:
437.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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