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76148-77-1 | 4H-1,4-Benzothiazine, 2-[(4-methoxyphenyl)azo]-4-methyl-3-phenyl-
CAS No: 76148-77-1 Catalog No: AG005ROP MDL No:
Product Description
Catalog Number:
AG005ROP
Chemical Name:
4H-1,4-Benzothiazine, 2-[(4-methoxyphenyl)azo]-4-methyl-3-phenyl-
CAS Number:
76148-77-1
Molecular Formula:
C22H19N3OS
Molecular Weight:
373.4708
IUPAC Name:
(4-methoxyphenyl)-(4-methyl-3-phenyl-1,4-benzothiazin-2-yl)diazene
InChI:
InChI=1S/C22H19N3OS/c1-25-19-10-6-7-11-20(19)27-22(21(25)16-8-4-3-5-9-16)24-23-17-12-14-18(26-2)15-13-17/h3-15H,1-2H3
InChI Key:
ZLEFEPWGUOJGDS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=NC1=C(c2ccccc2)N(c2c(S1)cccc2)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.125g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.474g/mol
Monoisotopic Mass:
373.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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