CID 44842135
PubChem CID
44842135
Structure
Molecular Formula
Status
Non-live
Molecular Weight
480.0 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
5-chloro-3-methyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide
InChI=1S/C25H22ClN3O3S/c1-14-18-11-16(26)8-9-19(18)32-22(14)24(31)29-25-21(17-6-2-3-7-20(17)33-25)23(30)28-13-15-5-4-10-27-12-15/h4-5,8-12H,2-3,6-7,13H2,1H3,(H,28,30)(H,29,31)
PHPDOOUSMMVRON-UHFFFAOYSA-N
CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5
C25H22ClN3O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
480.0 g/mol
Property Name
XLogP3-AA
Property Value
6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
479.1070404 g/mol
Property Name
Monoisotopic Mass
Property Value
479.1070404 g/mol
Property Name
Topological Polar Surface Area
Property Value
112 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
727
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