CID 45368003
PubChem CID
45368003
Structure
Molecular Formula
Status
Non-live
Molecular Weight
399.3 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
InChI=1S/C17H20Cl2N4OS/c1-2-7-23-16(12-4-5-12)21-22-17(23)25-10-15(24)20-9-11-3-6-13(18)14(19)8-11/h3,6,8,12H,2,4-5,7,9-10H2,1H3,(H,20,24)
UVYOJEYULHXFJG-UHFFFAOYSA-N
CCCN1C(=NN=C1SCC(=O)NCC2=CC(=C(C=C2)Cl)Cl)C3CC3
C17H20Cl2N4OS
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
399.3 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
4
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
398.0734878 g/mol
Property Name
Monoisotopic Mass
Property Value
398.0734878 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.1 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
454
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
CONTENTS