CID 45365771
PubChem CID
45365771
Structure
Molecular Formula
Status
Non-live
Molecular Weight
490.7 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide
InChI=1S/C24H31FN4O2S2/c1-18-4-3-5-19(2)29(18)33(30,31)23-12-8-21(9-13-23)26-24(32)28-16-14-27(15-17-28)22-10-6-20(25)7-11-22/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,26,32)
FSTFZTURKQUKLS-UHFFFAOYSA-N
CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)F)C
C24H31FN4O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
490.7 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
490.18724675 g/mol
Property Name
Monoisotopic Mass
Property Value
490.18724675 g/mol
Property Name
Topological Polar Surface Area
Property Value
96.4 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
743
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS