Compound Summary for: CID 56671035

Molecular Formula: C26H24N4O3   Molecular Weight: 440.49376   InChIKey: NIDUKJJGNGSXIT-UHFFFAOYSA-N
Compound Information
CID 56671035
Create Date: 2012-03-06
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 440.49376 [g/mol]
Molecular FormulaC26H24N4O3
XLogP3-AA3.1
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count7
Exact Mass440.184841
MonoIsotopic Mass440.184841
Topological Polar Surface Area90.9
Heavy Atom Count33
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Acceptor Count4
Feature 3D Donor Count2
Feature 3D Ring Count4
Effective Rotor Count9
Conformer Sampling RMSD1.2
CID Conformer Count251
Descriptors
IUPAC Name2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide
InChIInChI=1S/C26H24N4O3/c1-18-26(33)30(23-15-9-8-14-21(23)27-18)17-24(31)29-22(16-19-10-4-2-5-11-19)25(32)28-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,28,32)(H,29,31)
InChIKeyNIDUKJJGNGSXIT-UHFFFAOYSA-N
Canonical SMILESCC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Isomeric SMILESCC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Old Version Substance Information