CID 25373809
PubChem CID
25373809
Structure
Molecular Formula
Status
Non-live
Molecular Weight
488.4 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
2-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxo-3-(thiophen-2-ylmethylidene)cyclohexyl]-6-fluoro-N-methylbenzamide
InChI=1S/C25H20Cl2FNO2S/c1-29(24(31)22-20(27)11-4-12-21(22)28)25(18-9-2-3-10-19(18)26)13-5-7-16(23(25)30)15-17-8-6-14-32-17/h2-4,6,8-12,14-15H,5,7,13H2,1H3/t25-/m1/s1
ZUEXUUCCGBCUSC-RUZDIDTESA-N
CN(C(=O)C1=C(C=CC=C1Cl)F)[C@]2(CCCC(=CC3=CC=CS3)C2=O)C4=CC=CC=C4Cl
C25H20Cl2FNO2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
488.4 g/mol
Property Name
XLogP3-AA
Property Value
6.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
487.0575836 g/mol
Property Name
Monoisotopic Mass
Property Value
487.0575836 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.6A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
749
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
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS