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303163-09-9 | 2-Pyridinamine, 4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-5-thiazolyl]-N-(phenylmethyl)-
CAS No: 303163-09-9 Catalog No: AG002ZPE MDL No:
Product Description
Catalog Number:
AG002ZPE
Chemical Name:
2-Pyridinamine, 4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-5-thiazolyl]-N-(phenylmethyl)-
CAS Number:
303163-09-9
Molecular Formula:
C28H22FN3S
Molecular Weight:
451.5578
IUPAC Name:
N-benzyl-4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
InChI:
InChI=1S/C28H22FN3S/c1-19-6-5-9-22(16-19)26-27(33-28(32-26)21-10-12-24(29)13-11-21)23-14-15-30-25(17-23)31-18-20-7-3-2-4-8-20/h2-17H,18H2,1H3,(H,30,31)
InChI Key:
PTFQZJABIWCKTM-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)NCc1ccccc1)c1ccc(cc1)F
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.152g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.563g/mol
Monoisotopic Mass:
451.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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