CID 45011875
PubChem CID
45011875
Structure
Molecular Formula
Status
Non-live
Molecular Weight
435.6 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
InChI=1S/C22H21N5OS2/c1-3-18-15(2)30-21(23-18)24-19(28)14-29-22-26-25-20(16-10-6-4-7-11-16)27(22)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3,(H,23,24,28)
BLGNFRMOXIODFC-UHFFFAOYSA-N
CCC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C
C22H21N5OS2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
435.6 g/mol
Property Name
XLogP3-AA
Property Value
5.1
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
435.11875266 g/mol
Property Name
Monoisotopic Mass
Property Value
435.11875266 g/mol
Property Name
Topological Polar Surface Area
Property Value
126 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
556
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
Old substance
CONTENTS