CID 41613760
PubChem CID
41613760
Structure
Molecular Formula
Status
Non-live
Molecular Weight
385.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-4-nitrobenzamide
InChI=1S/C23H19N3O3/c27-23(17-10-12-18(13-11-17)26(28)29)25-14-20(16-6-2-1-3-7-16)21-15-24-22-9-5-4-8-19(21)22/h1-13,15,20,24H,14H2,(H,25,27)/t20-/m0/s1
YAAWDXGHDLATQL-FQEVSTJZSA-N
C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43
C23H19N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
385.4 g/mol
Property Name
XLogP3-AA
Property Value
4.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
385.14264148 g/mol
Property Name
Monoisotopic Mass
Property Value
385.14264148 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.7 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
564
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
Old substance
CONTENTS