CID 44773988
PubChem CID
44773988
Structure
Molecular Formula
Status
Non-live
Molecular Weight
470.9 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-[[4-[(4-chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
InChI=1S/C23H17ClF2N4OS/c24-17-8-6-15(7-9-17)13-30-22(16-4-2-1-3-5-16)28-29-23(30)32-14-21(31)27-20-11-10-18(25)12-19(20)26/h1-12H,13-14H2,(H,27,31)
KPDZNPHMGSPFCW-UHFFFAOYSA-N
C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=C(C=C3)Cl)SCC(=O)NC4=C(C=C(C=C4)F)F
C23H17ClF2N4OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
470.9 g/mol
Property Name
XLogP3-AA
Property Value
5.3
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
7
Property Name
Exact Mass
Property Value
470.0779664 g/mol
Property Name
Monoisotopic Mass
Property Value
470.0779664 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.1 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
607
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