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1053-74-3 | Ethanone,1-[10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl]-
CAS No: 1053-74-3 Catalog No: AG00852E MDL No:
Product Description
Catalog Number:
AG00852E
Chemical Name:
Ethanone,1-[10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl]-
CAS Number:
1053-74-3
Molecular Formula:
C22H27N3OS
Molecular Weight:
381.5343
IUPAC Name:
1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanone
InChI:
InChI=1S/C22H27N3OS/c1-17(26)18-8-9-22-20(16-18)25(19-6-3-4-7-21(19)27-22)11-5-10-24-14-12-23(2)13-15-24/h3-4,6-9,16H,5,10-15H2,1-2H3
InChI Key:
WKCTYFQBCFYMAR-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.187g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.538g/mol
Monoisotopic Mass:
381.187g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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