10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-8-(trifluoromethyl)phenothiazin-3-ol


Chemical Name: 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-8-(trifluoromethyl)phenothiazin-3-ol
CAS Number: 33098-48-5
Product Number: AG00C92K(AGN-PC-0JPQVL)
Synonyms:
MDL No:
Molecular Formula: C22H26F3N3O2S
Molecular Weight: 453.5209496

Identification/Properties


Computed Properties
Molecular Weight:
453.524g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
6
Exact Mass:
453.17g/mol
Monoisotopic Mass:
453.17g/mol
Topological Polar Surface Area:
75.5A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
577
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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