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13956-07-5 | Ethanone, 1-(7-methoxy-10-methyl-10H-phenothiazin-2-yl)-
CAS No: 13956-07-5 Catalog No: AG001BAI MDL No:
Product Description
Catalog Number:
AG001BAI
Chemical Name:
Ethanone, 1-(7-methoxy-10-methyl-10H-phenothiazin-2-yl)-
CAS Number:
13956-07-5
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
IUPAC Name:
1-(7-methoxy-10-methylphenothiazin-2-yl)ethanone
InChI:
InChI=1S/C16H15NO2S/c1-10(18)11-4-7-15-14(8-11)17(2)13-6-5-12(19-3)9-16(13)20-15/h4-9H,1-3H3
InChI Key:
QXVDHAIQERTYOP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)Sc1c(N2C)cc(cc1)C(=O)C
EC Number:
237-734-8
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.361g/mol
Monoisotopic Mass:
285.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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