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94059-87-7 | 10H-Phenothiazin-3-ol, 10-(4-methoxybenzoyl)-
CAS No: 94059-87-7 Catalog No: AG0068XY MDL No:
Product Description
Catalog Number:
AG0068XY
Chemical Name:
10H-Phenothiazin-3-ol, 10-(4-methoxybenzoyl)-
CAS Number:
94059-87-7
Molecular Formula:
C20H15NO3S
Molecular Weight:
349.4030
IUPAC Name:
(3-hydroxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C20H15NO3S/c1-24-15-9-6-13(7-10-15)20(23)21-16-4-2-3-5-18(16)25-19-12-14(22)8-11-17(19)21/h2-12,22H,1H3
InChI Key:
CSMIVONJFLKADL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1c2ccccc2Sc2c1ccc(c2)O
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.404g/mol
Monoisotopic Mass:
349.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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