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144970-63-8 | Benzenamine, N-[4-(2-benzothiazolyl)phenyl]-4-methyl-N-(4-methylphenyl)-
CAS No: 144970-63-8 Catalog No: AG001KEM MDL No:
Product Description
Catalog Number:
AG001KEM
Chemical Name:
Benzenamine, N-[4-(2-benzothiazolyl)phenyl]-4-methyl-N-(4-methylphenyl)-
CAS Number:
144970-63-8
Molecular Formula:
C27H22N2S
Molecular Weight:
406.5420
IUPAC Name:
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
InChI:
InChI=1S/C27H22N2S/c1-19-7-13-22(14-8-19)29(23-15-9-20(2)10-16-23)24-17-11-21(12-18-24)27-28-25-5-3-4-6-26(25)30-27/h3-18H,1-2H3
InChI Key:
XOSUXHTTXZAPFE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.15g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.547g/mol
Monoisotopic Mass:
406.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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