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66252-22-0 | 2H-1,4-Benzothiazine, 2,2'-(1,2-ethanediylidene)bis[3-phenyl-
CAS No: 66252-22-0 Catalog No: AG006ONR MDL No:
Product Description
Catalog Number:
AG006ONR
Chemical Name:
2H-1,4-Benzothiazine, 2,2'-(1,2-ethanediylidene)bis[3-phenyl-
CAS Number:
66252-22-0
Molecular Formula:
C30H20N2S2
Molecular Weight:
472.6232
IUPAC Name:
3-phenyl-2-[2-(3-phenyl-1,4-benzothiazin-2-ylidene)ethylidene]-1,4-benzothiazine
InChI:
InChI=1S/C30H20N2S2/c1-3-11-21(12-4-1)29-27(33-25-17-9-7-15-23(25)31-29)19-20-28-30(22-13-5-2-6-14-22)32-24-16-8-10-18-26(24)34-28/h1-20H
InChI Key:
RWZAUQYMZOSTLA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=Nc2ccccc2SC1=CC=C1Sc2ccccc2N=C1c1ccccc1
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.107g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.624g/mol
Monoisotopic Mass:
472.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8
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