CID 40422326
PubChem CID
40422326
Structure
Molecular Formula
Status
Non-live
Molecular Weight
483.9 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
ethyl 6-[(2-chloro-6-fluorobenzoyl)amino]-2-oxo-7-propan-2-yl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxylate
InChI=1S/C24H20ClFN4O4/c1-4-34-24(33)15-12-14-20(27-18-10-5-6-11-29(18)23(14)32)30(13(2)3)21(15)28-22(31)19-16(25)8-7-9-17(19)26/h5-13H,4H2,1-3H3/p+1
VNGVEHGECCNTCN-UHFFFAOYSA-O
CCOC(=O)C1=C([N+](=C2C(=C1)C(=O)N3C=CC=CC3=N2)C(C)C)NC(=O)C4=C(C=CC=C4Cl)F
C24H21ClFN4O4+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
483.9 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
483.1235360 g/mol
Property Name
Monoisotopic Mass
Property Value
483.1235360 g/mol
Property Name
Topological Polar Surface Area
Property Value
92 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
923
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
Old substance
Old substance
Old substance
CONTENTS