CID 46122504
PubChem CID
46122504
Structure
Molecular Formula
Status
Non-live
Molecular Weight
524.6 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide
InChI=1S/C31H32N4O4/c1-21-7-10-23(11-8-21)19-33(16-15-25-18-32-28-6-4-3-5-27(25)28)30(36)20-34(26-13-14-26)31(37)24-12-9-22(2)29(17-24)35(38)39/h3-12,17-18,26,32H,13-16,19-20H2,1-2H3
YVFWYXMEBSMXBF-UHFFFAOYSA-N
CC1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)C(=O)CN(C4CC4)C(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]
C31H32N4O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
524.6 g/mol
Property Name
XLogP3-AA
Property Value
5.6
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
9
Property Name
Exact Mass
Property Value
524.24235551 g/mol
Property Name
Monoisotopic Mass
Property Value
524.24235551 g/mol
Property Name
Topological Polar Surface Area
Property Value
102 A^2
Property Name
Heavy Atom Count
Property Value
39
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
865
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
Old substance
Old substance
CONTENTS