CID 44770558
PubChem CID
44770558
Structure
Molecular Formula
Status
Non-live
Molecular Weight
395.4 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
methyl 4-[(5-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)methyl]benzoate
InChI=1S/C23H25NO5/c1-27-19-4-3-5-20-21(19)18(25)14-23(29-20)10-12-24(13-11-23)15-16-6-8-17(9-7-16)22(26)28-2/h3-9H,10-15H2,1-2H3
ZGNXVIREVMQHFN-UHFFFAOYSA-N
COC1=CC=CC2=C1C(=O)CC3(O2)CCN(CC3)CC4=CC=C(C=C4)C(=O)OC
C23H25NO5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
395.4 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
395.17327290 g/mol
Property Name
Monoisotopic Mass
Property Value
395.17327290 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.1 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
592
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