Compound Information
Helptop of page
CID 6379144
Create Date: 2005-09-13
Deprecated compound

No substance information
Properties and Descriptors
Helptop of page
Properties
Molecular Weight 449.45592 [g/mol]
Molecular FormulaC24H23N3O6+2
XLogP3-AA1.3
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count4
Exact Mass449.158685
MonoIsotopic Mass449.158685
Topological Polar Surface Area107
Heavy Atom Count33
Formal Charge2
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Acceptor Count6
Feature 3D Donor Count1
Feature 3D Ring Count5
Effective Rotor Count4.8
Conformer Sampling RMSD0.8
CID Conformer Count13
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES