CID 51829375
PubChem CID
51829375
Structure
Molecular Formula
Status
Non-live
Molecular Weight
432.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-tert-butyl-N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenanthren-9-ylethyl]butanamide
InChI=1S/C28H36N2O2/c1-8-13-24(31)30(28(5,6)7)25(26(32)29-27(2,3)4)23-18-19-14-9-10-15-20(19)21-16-11-12-17-22(21)23/h9-12,14-18,25H,8,13H2,1-7H3,(H,29,32)/t25-/m0/s1
FWJXWEGERPUBOZ-VWLOTQADSA-N
CCCC(=O)N([C@@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)NC(C)(C)C)C(C)(C)C
C28H36N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
432.6 g/mol
Property Name
XLogP3-AA
Property Value
6.1
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
7
Property Name
Exact Mass
Property Value
432.277678395 g/mol
Property Name
Monoisotopic Mass
Property Value
432.277678395 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
659
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