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75644-15-4 | N-[2-[5-ACETYL-3,4-BIS(4-CHLOROPHENYL)-6-OXO-PYRIDAZIN-1-YL]ETHYL]ACETAMIDE
CAS No: 75644-15-4 Catalog No: AG005J1H MDL No:
Product Description
Catalog Number:
AG005J1H
Chemical Name:
N-[2-[5-ACETYL-3,4-BIS(4-CHLOROPHENYL)-6-OXO-PYRIDAZIN-1-YL]ETHYL]ACETAMIDE
CAS Number:
75644-15-4
Molecular Formula:
C22H19Cl2N3O3
Molecular Weight:
444.3106
IUPAC Name:
N-[2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
InChI:
InChI=1S/C22H19Cl2N3O3/c1-13(28)19-20(15-3-7-17(23)8-4-15)21(16-5-9-18(24)10-6-16)26-27(22(19)30)12-11-25-14(2)29/h3-10H,11-12H2,1-2H3,(H,25,29)
InChI Key:
MRNCVBMIYREAFP-UHFFFAOYSA-N
SMILES:
CC(=O)NCCn1nc(c2ccc(cc2)Cl)c(c(c1=O)C(=O)C)c1ccc(cc1)Cl
NSC Number:
351643
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.08g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.312g/mol
Monoisotopic Mass:
443.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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