CID 45365723
PubChem CID
45365723
Structure
Molecular Formula
Status
Non-live
Molecular Weight
410.6 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
4-(2-methylpropyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine-1-carbothioamide
InChI=1S/C19H30N4O2S2/c1-16(2)15-21-11-13-22(14-12-21)19(26)20-17-5-7-18(8-6-17)27(24,25)23-9-3-4-10-23/h5-8,16H,3-4,9-15H2,1-2H3,(H,20,26)
LGNZOILZVNYXCO-UHFFFAOYSA-N
CC(C)CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3
C19H30N4O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
410.6 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
410.18101856 g/mol
Property Name
Monoisotopic Mass
Property Value
410.18101856 g/mol
Property Name
Topological Polar Surface Area
Property Value
96.4 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
583
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
0
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