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128433-37-4 | Acetamide, N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-(2-pyrimidinylthio)-
CAS No: 128433-37-4 Catalog No: AG000Y39 MDL No:
Product Description
Catalog Number:
AG000Y39
Chemical Name:
Acetamide, N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-(2-pyrimidinylthio)-
CAS Number:
128433-37-4
Molecular Formula:
C20H15Cl2N3O2S
Molecular Weight:
432.3230
IUPAC Name:
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
InChI:
InChI=1S/C20H15Cl2N3O2S/c1-25(18(26)12-28-20-23-9-4-10-24-20)17-8-7-13(21)11-15(17)19(27)14-5-2-3-6-16(14)22/h2-11H,12H2,1H3
InChI Key:
QDRNJVCRNGFJPX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)c1ccccc1Cl)N(C(=O)CSc1ncccn1)C
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.026g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.319g/mol
Monoisotopic Mass:
431.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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