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303163-03-3 | 2-Pyridinamine, 4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-N-(phenylmethyl)-
CAS No: 303163-03-3 Catalog No: AG002ZPK MDL No:
Product Description
Catalog Number:
AG002ZPK
Chemical Name:
2-Pyridinamine, 4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-N-(phenylmethyl)-
CAS Number:
303163-03-3
Molecular Formula:
C25H25N3S
Molecular Weight:
399.5511
IUPAC Name:
N-benzyl-4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]pyridin-2-amine
InChI:
InChI=1S/C25H25N3S/c1-3-8-23-28-24(20-12-7-9-18(2)15-20)25(29-23)21-13-14-26-22(16-21)27-17-19-10-5-4-6-11-19/h4-7,9-16H,3,8,17H2,1-2H3,(H,26,27)
InChI Key:
XNUPFQFHYSTKFA-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(s1)c1ccnc(c1)NCc1ccccc1)c1cccc(c1)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.177g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.556g/mol
Monoisotopic Mass:
399.177g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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