CID 44771217
PubChem CID
44771217
Structure
Molecular Formula
Status
Non-live
Molecular Weight
420.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[(2R)-3,3-dimethylbutan-2-yl]-4-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)benzamide
InChI=1S/C27H36N2O2/c1-19(26(2,3)4)28-25(30)21-8-6-20(7-9-21)22-10-11-24-23(18-22)12-13-27(31-24)14-16-29(5)17-15-27/h6-11,18-19H,12-17H2,1-5H3,(H,28,30)/t19-/m1/s1
QZQHHTIFRNXNQS-LJQANCHMSA-N
C[C@H](C(C)(C)C)NC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC4(CC3)CCN(CC4)C
C27H36N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
420.6 g/mol
Property Name
XLogP3-AA
Property Value
5.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
420.277678395 g/mol
Property Name
Monoisotopic Mass
Property Value
420.277678395 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.6 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
611
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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