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111324-05-1 | Benzothiazole, 2-[1,2-diphenyl-1-(phenylmethyl)ethyl]-
CAS No: 111324-05-1 Catalog No: AG007AYF MDL No:
Product Description
Catalog Number:
AG007AYF
Chemical Name:
Benzothiazole, 2-[1,2-diphenyl-1-(phenylmethyl)ethyl]-
CAS Number:
111324-05-1
Molecular Formula:
C28H23NS
Molecular Weight:
405.5539
IUPAC Name:
2-(1,2,3-triphenylpropan-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C28H23NS/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24,21-23-14-6-2-7-15-23)27-29-25-18-10-11-19-26(25)30-27/h1-19H,20-21H2
InChI Key:
IATMYJUALLTLLN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC(c1nc2c(s1)cccc2)(c1ccccc1)Cc1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.155g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.559g/mol
Monoisotopic Mass:
405.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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