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156213-25-1

156213-25-1 | 10H-Phenothiazine, 10-[(octahydro-2H-quinolizin-1-yl)acetyl]-2-(trifluoromethyl)-, (1S-trans)- (9CI)

CAS No: 156213-25-1 Catalog No: AG001OM0 MDL No:

Product Description

Catalog Number:
AG001OM0
Chemical Name:
10H-Phenothiazine, 10-[(octahydro-2H-quinolizin-1-yl)acetyl]-2-(trifluoromethyl)-, (1S-trans)- (9CI)
CAS Number:
156213-25-1
Molecular Formula:
C24H25F3N2OS
Molecular Weight:
446.5283
IUPAC Name:
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
InChI:
InChI=1S/C24H25F3N2OS/c25-24(26,27)17-10-11-22-20(15-17)29(19-8-1-2-9-21(19)31-22)23(30)14-16-6-5-13-28-12-4-3-7-18(16)28/h1-2,8-11,15-16,18H,3-7,12-14H2/t16-,18+/m0/s1
InChI Key:
AFWFJJVBHZOUEX-FUHWJXTLSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C[C@@H]1CCCN2[C@@H]1CCCC2

Properties

Complexity:
659  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
446.164g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.532g/mol
Monoisotopic Mass:
446.164g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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