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828266-43-9 | 10H-Phenothiazine, 10-(cyclohexylacetyl)-
CAS No: 828266-43-9 Catalog No: AG008IAS MDL No:
Product Description
Catalog Number:
AG008IAS
Chemical Name:
10H-Phenothiazine, 10-(cyclohexylacetyl)-
CAS Number:
828266-43-9
Molecular Formula:
C20H21NOS
Molecular Weight:
323.4518
IUPAC Name:
2-cyclohexyl-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C20H21NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h4-7,10-13,15H,1-3,8-9,14H2
InChI Key:
SLWHZOXMZPOFEZ-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CC1CCCCC1
Properties
Complexity:
398
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:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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