CID 44769968
PubChem CID
44769968
Structure
Molecular Formula
Status
Non-live
Molecular Weight
426.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
4-(1'-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-phenylbenzamide
InChI=1S/C27H26N2O3/c1-29-15-13-27(14-16-29)18-24(30)23-17-21(11-12-25(23)32-27)19-7-9-20(10-8-19)26(31)28-22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,28,31)
HZOGGCMBDQFTKH-UHFFFAOYSA-N
CN1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5
C27H26N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
426.5 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
426.19434270 g/mol
Property Name
Monoisotopic Mass
Property Value
426.19434270 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.6 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
672
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