CID 51444848
PubChem CID
51444848
Structure
Molecular Formula
Status
Non-live
Molecular Weight
424.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-N-(3-acetylphenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
InChI=1S/C22H24N4O3S/c1-5-26-20(18-11-6-7-12-19(18)29-4)24-25-22(26)30-15(3)21(28)23-17-10-8-9-16(13-17)14(2)27/h6-13,15H,5H2,1-4H3,(H,23,28)/t15-/m0/s1
HJVGVJXIBUHTLY-HNNXBMFYSA-N
CCN1C(=NN=C1S[C@@H](C)C(=O)NC2=CC=CC(=C2)C(=O)C)C3=CC=CC=C3OC
C22H24N4O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
424.5 g/mol
Property Name
XLogP3-AA
Property Value
3.2
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
8
Property Name
Exact Mass
Property Value
424.15691181 g/mol
Property Name
Monoisotopic Mass
Property Value
424.15691181 g/mol
Property Name
Topological Polar Surface Area
Property Value
111 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
593
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
CONTENTS