CID 41167839
PubChem CID
41167839
Structure
Molecular Formula
Status
Non-live
Molecular Weight
470.8 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2R)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
InChI=1S/C19H18Cl3N5OS/c1-3-8-27-17(12-4-6-23-7-5-12)25-26-19(27)29-11(2)18(28)24-16-10-14(21)13(20)9-15(16)22/h4-7,9-11H,3,8H2,1-2H3,(H,24,28)/t11-/m1/s1
XIYLAQBFYNZLFJ-LLVKDONJSA-N
CCCN1C(=NN=C1S[C@H](C)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)C3=CC=NC=C3
C19H18Cl3N5OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
470.8 g/mol
Property Name
XLogP3-AA
Property Value
4.9
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
7
Property Name
Exact Mass
Property Value
469.029764 g/mol
Property Name
Monoisotopic Mass
Property Value
469.029764 g/mol
Property Name
Topological Polar Surface Area
Property Value
98 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
542
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
Old substance
Old substance
CONTENTS