CID 45938765
PubChem CID
45938765
Structure
Molecular Formula
Status
Non-live
Molecular Weight
533.7 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide
InChI=1S/C34H35N3O3/c1-25-14-16-26(17-15-25)23-36(19-18-28-22-35-32-13-6-5-11-30(28)32)33(38)24-37(20-21-40-2)34(39)31-12-7-9-27-8-3-4-10-29(27)31/h3-17,22,35H,18-21,23-24H2,1-2H3
HSNIUBRPOYQBIO-UHFFFAOYSA-N
CC1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)C(=O)CN(CCOC)C(=O)C4=CC=CC5=CC=CC=C54
C34H35N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
533.7 g/mol
Property Name
XLogP3-AA
Property Value
6
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
11
Property Name
Exact Mass
Property Value
533.26784199 g/mol
Property Name
Monoisotopic Mass
Property Value
533.26784199 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.6 A^2
Property Name
Heavy Atom Count
Property Value
40
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
812
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
Old substance
CONTENTS