CID 44774294
PubChem CID
44774294
Structure
Molecular Formula
Status
Non-live
Molecular Weight
396.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-[1-[(2,5-dimethylphenyl)methyl]-2-methylindol-3-yl]ethyl]benzamide
InChI=1S/C27H28N2O/c1-19-13-14-20(2)23(17-19)18-29-21(3)24(25-11-7-8-12-26(25)29)15-16-28-27(30)22-9-5-4-6-10-22/h4-14,17H,15-16,18H2,1-3H3,(H,28,30)
RTAHIJVHEQWTEZ-UHFFFAOYSA-N
CC1=CC(=C(C=C1)C)CN2C(=C(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4)C
C27H28N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
396.5 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
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
396.220163521 g/mol
Property Name
Monoisotopic Mass
Property Value
396.220163521 g/mol
Property Name
Topological Polar Surface Area
Property Value
34 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
557
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
CONTENTS