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136776-27-7 | Ethanone, 2-(3-methylphenoxy)-1-(10H-phenothiazin-10-yl)-
CAS No: 136776-27-7 Catalog No: AG0012BW MDL No:
Product Description
Catalog Number:
AG0012BW
Chemical Name:
Ethanone, 2-(3-methylphenoxy)-1-(10H-phenothiazin-10-yl)-
CAS Number:
136776-27-7
Molecular Formula:
C21H17NO2S
Molecular Weight:
347.4302
IUPAC Name:
2-(3-methylphenoxy)-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C21H17NO2S/c1-15-7-6-8-16(13-15)24-14-21(23)22-17-9-2-4-11-19(17)25-20-12-5-3-10-18(20)22/h2-13H,14H2,1H3
InChI Key:
FIUCBUKREFBMJI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)OCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.432g/mol
Monoisotopic Mass:
347.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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