CID 45015106
PubChem CID
45015106
Structure
Molecular Formula
Status
Non-live
Molecular Weight
481.6 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
N-[1-[5-[1-(3-methylsulfanylanilino)-1-oxopropan-2-yl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
InChI=1S/C24H27N5O2S2/c1-5-14-29-21(16(2)25-23(31)18-10-7-6-8-11-18)27-28-24(29)33-17(3)22(30)26-19-12-9-13-20(15-19)32-4/h5-13,15-17H,1,14H2,2-4H3,(H,25,31)(H,26,30)
SFPZFFUCISDKHE-UHFFFAOYSA-N
CC(C1=NN=C(N1CC=C)SC(C)C(=O)NC2=CC(=CC=C2)SC)NC(=O)C3=CC=CC=C3
C24H27N5O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
481.6 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
481.16061747 g/mol
Property Name
Monoisotopic Mass
Property Value
481.16061747 g/mol
Property Name
Topological Polar Surface Area
Property Value
140 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
661
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
2
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