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19953-34-5 | Ethanone, 2-[2-[(4-chlorophenyl)thio]phenyl]-1-(4-methyl-1-piperazinyl)-
CAS No: 19953-34-5 Catalog No: AG002C6N MDL No:
Product Description
Catalog Number:
AG002C6N
Chemical Name:
Ethanone, 2-[2-[(4-chlorophenyl)thio]phenyl]-1-(4-methyl-1-piperazinyl)-
CAS Number:
19953-34-5
Molecular Formula:
C19H21ClN2OS
Molecular Weight:
360.9008
IUPAC Name:
2-[2-(4-chlorophenyl)sulfanylphenyl]-1-(4-methylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C19H21ClN2OS/c1-21-10-12-22(13-11-21)19(23)14-15-4-2-3-5-18(15)24-17-8-6-16(20)7-9-17/h2-9H,10-14H2,1H3
InChI Key:
FZIMRIUOGBCZPX-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)Cc1ccccc1Sc1ccc(cc1)Cl
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.9g/mol
Monoisotopic Mass:
360.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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