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89808-06-0 | Methanone, (5-ethoxy-3-phenyl-4H-1,4-benzothiazin-2-yl)phenyl-
CAS No: 89808-06-0 Catalog No: AG003Y6F MDL No:
Product Description
Catalog Number:
AG003Y6F
Chemical Name:
Methanone, (5-ethoxy-3-phenyl-4H-1,4-benzothiazin-2-yl)phenyl-
CAS Number:
89808-06-0
Molecular Formula:
C23H19NO2S
Molecular Weight:
373.4675
IUPAC Name:
(5-ethoxy-3-phenyl-4H-1,4-benzothiazin-2-yl)-phenylmethanone
InChI:
InChI=1S/C23H19NO2S/c1-2-26-18-14-9-15-19-21(18)24-20(16-10-5-3-6-11-16)23(27-19)22(25)17-12-7-4-8-13-17/h3-15,24H,2H2,1H3
InChI Key:
KMASDAAVRANQDG-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1NC(=C(S2)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.114g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.47g/mol
Monoisotopic Mass:
373.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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