CID 45012378
PubChem CID
45012378
Structure
Molecular Formula
Status
Non-live
Molecular Weight
376.5 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
N-cyclohexyl-2-[[4-ethyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
InChI=1S/C19H25FN4OS/c1-3-24-17(14-8-7-9-15(20)12-14)22-23-19(24)26-13(2)18(25)21-16-10-5-4-6-11-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,21,25)
CMHMTIPVOZIHPH-UHFFFAOYSA-N
CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)C3=CC(=CC=C3)F
C19H25FN4OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
376.5 g/mol
Property Name
XLogP3-AA
Property Value
3.9
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
376.17331077 g/mol
Property Name
Monoisotopic Mass
Property Value
376.17331077 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.1 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
463
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
CONTENTS