CID 44842297
PubChem CID
44842297
Structure
Molecular Formula
Status
Non-live
Molecular Weight
382.5 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
InChI=1S/C21H22N2O3S/c1-10-8-11(2)17-14(9-10)12(3)18(26-17)20(25)23-21-16(19(22)24)13-6-4-5-7-15(13)27-21/h8-9H,4-7H2,1-3H3,(H2,22,24)(H,23,25)
SPDMYPUQCMMCEK-UHFFFAOYSA-N
CC1=CC(=C2C(=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C)C
C21H22N2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
382.5 g/mol
Property Name
XLogP3-AA
Property Value
5.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
382.13511374 g/mol
Property Name
Monoisotopic Mass
Property Value
382.13511374 g/mol
Property Name
Topological Polar Surface Area
Property Value
114 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
600
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