CID 45014103
PubChem CID
45014103
Structure
Molecular Formula
Status
Non-live
Molecular Weight
306.39 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI=1S/C14H18N4O2S/c1-9(2)20-11-6-4-5-10(7-11)13-16-17-14(18(13)3)21-8-12(15)19/h4-7,9H,8H2,1-3H3,(H2,15,19)
ZTQDESXYOYMYBJ-UHFFFAOYSA-N
CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N
C14H18N4O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
306.39 g/mol
Property Name
XLogP3-AA
Property Value
1.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
306.11504700 g/mol
Property Name
Monoisotopic Mass
Property Value
306.11504700 g/mol
Property Name
Topological Polar Surface Area
Property Value
108 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
356
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