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91508-47-3 | Piperazine, 1-methyl-4-[1-oxo-3-(10H-phenothiazin-10-yl)propyl]-
CAS No: 91508-47-3 Catalog No: AG006LLN MDL No:
Product Description
Catalog Number:
AG006LLN
Chemical Name:
Piperazine, 1-methyl-4-[1-oxo-3-(10H-phenothiazin-10-yl)propyl]-
CAS Number:
91508-47-3
Molecular Formula:
C20H23N3OS
Molecular Weight:
353.4811
IUPAC Name:
1-(4-methylpiperazin-1-yl)-3-phenothiazin-10-ylpropan-1-one
InChI:
InChI=1S/C20H23N3OS/c1-21-12-14-22(15-13-21)20(24)10-11-23-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)23/h2-9H,10-15H2,1H3
InChI Key:
OELLRNXFVAVVKM-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)CCN1c2ccccc2Sc2c1cccc2
NSC Number:
638693
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.484g/mol
Monoisotopic Mass:
353.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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