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82619-80-5 | Methanone, (4-methoxyphenyl)-10H-phenothiazin-1-yl-
CAS No: 82619-80-5 Catalog No: AG008K61 MDL No:
Product Description
Catalog Number:
AG008K61
Chemical Name:
Methanone, (4-methoxyphenyl)-10H-phenothiazin-1-yl-
CAS Number:
82619-80-5
Molecular Formula:
C20H15NO2S
Molecular Weight:
333.4036
IUPAC Name:
(4-methoxyphenyl)-(10H-phenothiazin-1-yl)methanone
InChI:
InChI=1S/C20H15NO2S/c1-23-14-11-9-13(10-12-14)20(22)15-5-4-8-18-19(15)21-16-6-2-3-7-17(16)24-18/h2-12,21H,1H3
InChI Key:
VCABAEIYDYHVKF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1cccc2c1Nc1ccccc1S2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.405g/mol
Monoisotopic Mass:
333.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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