CID 51216472
PubChem CID
51216472
Structure
Molecular Formula
Status
Non-live
Molecular Weight
387.4 g/mol
Dates
- Create:2011-05-03
Chemical Structure Depiction
N-(1-cyclopropylethyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
InChI=1S/C15H16F3N5O2S/c1-9(10-2-3-10)19-13(24)8-26-14-20-21-22-23(14)11-4-6-12(7-5-11)25-15(16,17)18/h4-7,9-10H,2-3,8H2,1H3,(H,19,24)
CLYZWFRATTZVNT-UHFFFAOYSA-N
CC(C1CC1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F
C15H16F3N5O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
387.4 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
387.09768043 g/mol
Property Name
Monoisotopic Mass
Property Value
387.09768043 g/mol
Property Name
Topological Polar Surface Area
Property Value
107 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
486
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
Old substance
CONTENTS