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303985-85-5 | 4-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CAS No: 303985-85-5 Catalog No: AG01FOQL MDL No:
Product Description
Catalog Number:
AG01FOQL
Chemical Name:
4-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CAS Number:
303985-85-5
IUPAC Name:
4-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
InChI:
InChI=1S/C18H14Cl3N3OS/c1-9-15(17(25)23-14-7-6-12(20)8-13(14)21)16(24-18(26)22-9)10-2-4-11(19)5-3-10/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)
InChI Key:
VBPUWSOQKBHDAT-UHFFFAOYSA-N
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.992g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
426.74g/mol
Monoisotopic Mass:
424.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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