2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-hydroxybutanedioic acid


Chemical Name: 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-hydroxybutanedioic acid
CAS Number: 52239-63-1
Product Number: AG00DK32(AGN-PC-00IOEW)
Synonyms:
MDL No:
Molecular Formula: C30H41N3O10S2
Molecular Weight: 667.79064

Identification/Properties


Computed Properties
Molecular Weight:
667.789g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
12
Exact Mass:
667.223g/mol
Monoisotopic Mass:
667.223g/mol
Topological Polar Surface Area:
250A^2
Heavy Atom Count:
45
Formal Charge:
0
Complexity:
584
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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