CID 41614070
PubChem CID
41614070
Structure
Molecular Formula
Status
Non-live
Molecular Weight
473.6 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
InChI=1S/C27H27N3O3S/c31-27(21-12-14-22(15-13-21)34(32,33)30-16-6-7-17-30)29-18-24(20-8-2-1-3-9-20)25-19-28-26-11-5-4-10-23(25)26/h1-5,8-15,19,24,28H,6-7,16-18H2,(H,29,31)/t24-/m1/s1
JGRBEWVJQHOFNH-XMMPIXPASA-N
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CC=C3)C4=CNC5=CC=CC=C54
C27H27N3O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
473.6 g/mol
Property Name
XLogP3-AA
Property Value
4.4
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
7
Property Name
Exact Mass
Property Value
473.17731291 g/mol
Property Name
Monoisotopic Mass
Property Value
473.17731291 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.7 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
777
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS