CID 40470307
Chemical Structure Depiction
6-(4-phenyl-2-piperidin-1-yl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one
InChI=1S/C21H21N3O/c25-20-12-6-5-11-17(20)19-15-18(16-9-3-1-4-10-16)22-21(23-19)24-13-7-2-8-14-24/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,22,23)
NWDYVSKTLNUTML-UHFFFAOYSA-N
C1CCN(CC1)C2=NC(=CC(=C3C=CC=CC3=O)N2)C4=CC=CC=C4
C21H21N3O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
331.4 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
331.168462302 g/mol
Property Name
Monoisotopic Mass
Property Value
331.168462302 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.7 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
684
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
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS