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303163-31-7 | 2-Pyridinamine, 4-[2-amino-4-(3-methylphenyl)-5-thiazolyl]-N-[(4-chlorophenyl)methyl]-
CAS No: 303163-31-7 Catalog No: AG002ZQA MDL No:
Product Description
Catalog Number:
AG002ZQA
Chemical Name:
2-Pyridinamine, 4-[2-amino-4-(3-methylphenyl)-5-thiazolyl]-N-[(4-chlorophenyl)methyl]-
CAS Number:
303163-31-7
Molecular Formula:
C22H19ClN4S
Molecular Weight:
406.9311
IUPAC Name:
5-[2-[(4-chlorophenyl)methylamino]pyridin-4-yl]-4-(3-methylphenyl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C22H19ClN4S/c1-14-3-2-4-16(11-14)20-21(28-22(24)27-20)17-9-10-25-19(12-17)26-13-15-5-7-18(23)8-6-15/h2-12H,13H2,1H3,(H2,24,27)(H,25,26)
InChI Key:
FYRBCHDLDPYQFN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNc1nccc(c1)c1sc(nc1c1cccc(c1)C)N
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.102g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.932g/mol
Monoisotopic Mass:
406.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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