CID 47401300
PubChem CID
47401300
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.34 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-oxoquinolin-1-yl)acetamide
InChI=1S/C14H13N3O2S/c18-12-5-7-17(11-4-2-1-3-10(11)12)9-13(19)16-14-15-6-8-20-14/h1-5,7H,6,8-9H2,(H,15,16,19)
SQFHDRPJTQQKML-UHFFFAOYSA-N
C1CSC(=N1)NC(=O)CN2C=CC(=O)C3=CC=CC=C32
C14H13N3O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.34 g/mol
Property Name
XLogP3-AA
Property Value
1.5
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
3
Property Name
Exact Mass
Property Value
287.07284784 g/mol
Property Name
Monoisotopic Mass
Property Value
287.07284784 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.1A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
475
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