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102387-48-4 | Acetamide, N-[5-chloro-3-[[4-(diethylamino)-2-methylphenyl]imino]-4-methyl-6-oxo-1,4-cyclohexadien-1-yl]-
CAS No: 102387-48-4 Catalog No: AG0007BD MDL No:MFCD19443390
Product Description
Catalog Number:
AG0007BD
Chemical Name:
Acetamide, N-[5-chloro-3-[[4-(diethylamino)-2-methylphenyl]imino]-4-methyl-6-oxo-1,4-cyclohexadien-1-yl]-
CAS Number:
102387-48-4
Molecular Formula:
C20H24ClN3O2
Molecular Weight:
373.8765
MDL Number:
MFCD19443390
IUPAC Name:
N-[5-chloro-3-[4-(diethylamino)-2-methylphenyl]imino-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]acetamide
InChI:
InChI=1S/C20H24ClN3O2/c1-6-24(7-2)15-8-9-16(12(3)10-15)23-17-11-18(22-14(5)25)20(26)19(21)13(17)4/h8-11H,6-7H2,1-5H3,(H,22,25)
InChI Key:
HYINZODUJDSJMX-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)C)N=C1C=C(NC(=O)C)C(=O)C(=C1C)Cl)CC
EC Number:
412-250-1
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.156g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.881g/mol
Monoisotopic Mass:
373.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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