CID 44884979
PubChem CID
44884979
Structure
Molecular Formula
Status
Non-live
Molecular Weight
514.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(9H-xanthen-9-yl)acetamide
InChI=1S/C26H18ClF3N2O2S/c27-16-9-10-21(26(28,29)30)15(11-16)12-17-14-31-25(35-17)32-24(33)13-20-18-5-1-3-7-22(18)34-23-8-4-2-6-19(20)23/h1-11,14,20H,12-13H2,(H,31,32,33)
YTTOATJTYSBMIN-UHFFFAOYSA-N
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC(=O)NC4=NC=C(S4)CC5=C(C=CC(=C5)Cl)C(F)(F)F
C26H18ClF3N2O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
514.9 g/mol
Property Name
XLogP3-AA
Property Value
6.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
514.0729612 g/mol
Property Name
Monoisotopic Mass
Property Value
514.0729612 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.5 A^2
Property Name
Heavy Atom Count
Property Value
35
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
722
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