CID 45014441
PubChem CID
45014441
Structure
Molecular Formula
Status
Non-live
Molecular Weight
475.6 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
InChI=1S/C22H29N5O3S2/c1-6-16-15(5)32-21(23-16)24-20(28)13-31-22-26-25-19(27(22)7-2)12-30-17-10-9-14(4)11-18(17)29-8-3/h9-11H,6-8,12-13H2,1-5H3,(H,23,24,28)
HYNCSKSDWHJONV-UHFFFAOYSA-N
CCC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2CC)COC3=C(C=C(C=C3)C)OCC)C
C22H29N5O3S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
475.6 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
11
Property Name
Exact Mass
Property Value
475.17118215 g/mol
Property Name
Monoisotopic Mass
Property Value
475.17118215 g/mol
Property Name
Topological Polar Surface Area
Property Value
145 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
590
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