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88047-20-5 | Benzo[h]quinoline, 2-(2-benzothiazolyl)-5,6-dihydro-4-phenyl-
CAS No: 88047-20-5 Catalog No: AG004IXC MDL No:
Product Description
Catalog Number:
AG004IXC
Chemical Name:
Benzo[h]quinoline, 2-(2-benzothiazolyl)-5,6-dihydro-4-phenyl-
CAS Number:
88047-20-5
Molecular Formula:
C26H18N2S
Molecular Weight:
390.4995
IUPAC Name:
2-(4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C26H18N2S/c1-2-8-17(9-3-1)21-16-23(26-28-22-12-6-7-13-24(22)29-26)27-25-19-11-5-4-10-18(19)14-15-20(21)25/h1-13,16H,14-15H2
InChI Key:
TWUYHXJGNHLOIR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(nc2c1CCc1c2cccc1)c1nc2c(s1)cccc2
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.119g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.504g/mol
Monoisotopic Mass:
390.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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