CID 45018049
PubChem CID
45018049
Structure
Molecular Formula
Status
Non-live
Molecular Weight
366.5 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
InChI=1S/C20H22N4OS/c1-13-6-5-7-17(10-13)21-18(25)12-26-20-23-22-19(24(20)4)16-9-8-14(2)15(3)11-16/h5-11H,12H2,1-4H3,(H,21,25)
OLSLKSFKOLZOLC-UHFFFAOYSA-N
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=C(C=C3)C)C
C20H22N4OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
366.5 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
366.15143251 g/mol
Property Name
Monoisotopic Mass
Property Value
366.15143251 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.1 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
477
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