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828266-41-7 | 10H-Phenothiazine, 10-(cycloheptylcarbonyl)-
CAS No: 828266-41-7 Catalog No: AG004XL4 MDL No:
Product Description
Catalog Number:
AG004XL4
Chemical Name:
10H-Phenothiazine, 10-(cycloheptylcarbonyl)-
CAS Number:
828266-41-7
Molecular Formula:
C20H21NOS
Molecular Weight:
323.4518
IUPAC Name:
cycloheptyl(phenothiazin-10-yl)methanone
InChI:
InChI=1S/C20H21NOS/c22-20(15-9-3-1-2-4-10-15)21-16-11-5-7-13-18(16)23-19-14-8-6-12-17(19)21/h5-8,11-15H,1-4,9-10H2
InChI Key:
UAJPYGGOEGMMGL-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)C1CCCCCC1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.134g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.454g/mol
Monoisotopic Mass:
323.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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