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102763-35-9 | Piperazinone, 1(or 4)-methyl-4(or 1)-[3-(10H-phenothiazin-10-yl)propyl]- (9CI)
CAS No: 102763-35-9 Catalog No: AG0008AV MDL No:
Product Description
Catalog Number:
AG0008AV
Chemical Name:
Piperazinone, 1(or 4)-methyl-4(or 1)-[3-(10H-phenothiazin-10-yl)propyl]- (9CI)
CAS Number:
102763-35-9
Molecular Formula:
C20H23N3OS
Molecular Weight:
353.4811
IUPAC Name:
1-methyl-4-(3-phenothiazin-10-ylpropyl)piperazin-2-one
InChI:
InChI=1S/C20H23N3OS/c1-21-13-14-22(15-20(21)24)11-6-12-23-16-7-2-4-9-18(16)25-19-10-5-3-8-17(19)23/h2-5,7-10H,6,11-15H2,1H3
InChI Key:
ANKZLDUGENAVJH-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1=O)CCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
452
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:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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