CID 45008477
PubChem CID
45008477
Structure
Molecular Formula
Status
Non-live
Molecular Weight
466.0 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
InChI=1S/C20H24ClN5O2S2/c1-5-16-12(3)29-19(22-16)23-18(27)13(4)30-20-25-24-17(26(20)6-2)11-28-15-9-7-14(21)8-10-15/h7-10,13H,5-6,11H2,1-4H3,(H,22,23,27)
YSJNFGADRBEBID-UHFFFAOYSA-N
CCC1=C(SC(=N1)NC(=O)C(C)SC2=NN=C(N2CC)COC3=CC=C(C=C3)Cl)C
C20H24ClN5O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
466.0 g/mol
Property Name
XLogP3-AA
Property Value
4.6
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
9
Property Name
Exact Mass
Property Value
465.1059951 g/mol
Property Name
Monoisotopic Mass
Property Value
465.1059951 g/mol
Property Name
Topological Polar Surface Area
Property Value
135 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
555
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
1
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