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303163-40-8 | 2-Pyridinamine, N-methyl-4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-N-(2-phenylethyl)-
CAS No: 303163-40-8 Catalog No: AG002ZR6 MDL No:
Product Description
Catalog Number:
AG002ZR6
Chemical Name:
2-Pyridinamine, N-methyl-4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-N-(2-phenylethyl)-
CAS Number:
303163-40-8
Molecular Formula:
C31H29N3O2S2
Molecular Weight:
539.7109
IUPAC Name:
N-methyl-4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
InChI:
InChI=1S/C31H29N3O2S2/c1-22-8-7-11-25(20-22)29-30(37-31(33-29)24-12-14-27(15-13-24)38(3,35)36)26-16-18-32-28(21-26)34(2)19-17-23-9-5-4-6-10-23/h4-16,18,20-21H,17,19H2,1-3H3
InChI Key:
QDOKHERMQDOVAB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)N(CCc1ccccc1)C)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
835
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.17g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
539.712g/mol
Monoisotopic Mass:
539.17g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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