CID 51861198
PubChem CID
51861198
Structure
Molecular Formula
Status
Non-live
Molecular Weight
363.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
InChI=1S/C17H25N5O2S/c1-12(2)13(3)19-15(23)11-25-17-21-20-16(22(17)9-10-24-4)14-5-7-18-8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,19,23)/t13-/m1/s1
FUZYIWXEUJVODG-CYBMUJFWSA-N
C[C@H](C(C)C)NC(=O)CSC1=NN=C(N1CCOC)C2=CC=NC=C2
C17H25N5O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
363.5 g/mol
Property Name
XLogP3-AA
Property Value
1.8
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
9
Property Name
Exact Mass
Property Value
363.17289623 g/mol
Property Name
Monoisotopic Mass
Property Value
363.17289623 g/mol
Property Name
Topological Polar Surface Area
Property Value
107 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
406
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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