CID 51817546
PubChem CID
51817546
Structure
Molecular Formula
Status
Non-live
Molecular Weight
429.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-4-nitro-N-propylbenzamide
InChI=1S/C24H35N3O4/c1-2-17-26(24(29)19-13-15-21(16-14-19)27(30)31)22(18-9-5-3-6-10-18)23(28)25-20-11-7-4-8-12-20/h13-16,18,20,22H,2-12,17H2,1H3,(H,25,28)/t22-/m1/s1
ZXFVPCXJQYCWGX-JOCHJYFZSA-N
CCCN([C@H](C1CCCCC1)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
C24H35N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
429.6 g/mol
Property Name
XLogP3-AA
Property Value
5.7
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
7
Property Name
Exact Mass
Property Value
429.26275661 g/mol
Property Name
Monoisotopic Mass
Property Value
429.26275661 g/mol
Property Name
Topological Polar Surface Area
Property Value
95.2 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
600
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