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85833-59-6 | 3H-Phenothiazin-3-one, 2-(phenylmethoxy)-
CAS No: 85833-59-6 Catalog No: AG004O8F MDL No:
Product Description
Catalog Number:
AG004O8F
Chemical Name:
3H-Phenothiazin-3-one, 2-(phenylmethoxy)-
CAS Number:
85833-59-6
Molecular Formula:
C19H13NO2S
Molecular Weight:
319.3770
IUPAC Name:
2-phenylmethoxyphenothiazin-3-one
InChI:
InChI=1S/C19H13NO2S/c21-16-11-19-15(20-14-8-4-5-9-18(14)23-19)10-17(16)22-12-13-6-2-1-3-7-13/h1-11H,12H2
InChI Key:
TXRZPHYHEWMXLJ-UHFFFAOYSA-N
SMILES:
O=c1cc2sc3ccccc3nc2cc1OCc1ccccc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.378g/mol
Monoisotopic Mass:
319.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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