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303163-28-2 | 2-Pyridinamine, 4-[2-amino-4-(3-methylphenyl)-5-thiazolyl]-N-[(4-methoxyphenyl)methyl]-
CAS No: 303163-28-2 Catalog No: AG002ZQD MDL No:
Product Description
Catalog Number:
AG002ZQD
Chemical Name:
2-Pyridinamine, 4-[2-amino-4-(3-methylphenyl)-5-thiazolyl]-N-[(4-methoxyphenyl)methyl]-
CAS Number:
303163-28-2
Molecular Formula:
C23H22N4OS
Molecular Weight:
402.5120
IUPAC Name:
5-[2-[(4-methoxyphenyl)methylamino]pyridin-4-yl]-4-(3-methylphenyl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C23H22N4OS/c1-15-4-3-5-17(12-15)21-22(29-23(24)27-21)18-10-11-25-20(13-18)26-14-16-6-8-19(28-2)9-7-16/h3-13H,14H2,1-2H3,(H2,24,27)(H,25,26)
InChI Key:
KTWQQBVBXLIWJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1nccc(c1)c1sc(nc1c1cccc(c1)C)N
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.151g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.516g/mol
Monoisotopic Mass:
402.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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