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303163-39-5 | 2-Pyridinamine, N-methyl-4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-N-(phenylmethyl)-
CAS No: 303163-39-5 Catalog No: AG002ZQ3 MDL No:
Product Description
Catalog Number:
AG002ZQ3
Chemical Name:
2-Pyridinamine, N-methyl-4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-N-(phenylmethyl)-
CAS Number:
303163-39-5
Molecular Formula:
C30H27N3O2S2
Molecular Weight:
525.6843
IUPAC Name:
N-benzyl-N-methyl-4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
InChI:
InChI=1S/C30H27N3O2S2/c1-21-8-7-11-24(18-21)28-29(36-30(32-28)23-12-14-26(15-13-23)37(3,34)35)25-16-17-31-27(19-25)33(2)20-22-9-5-4-6-10-22/h4-19H,20H2,1-3H3
InChI Key:
MWVPHNLODLWHHU-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)N(Cc1ccccc1)C)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
819
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.154g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.685g/mol
Monoisotopic Mass:
525.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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