CID 51922469
PubChem CID
51922469
Structure
Molecular Formula
Status
Non-live
Molecular Weight
437.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(1S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
InChI=1S/C27H22N2O4/c30-26(31)23-13-20-19-11-5-6-12-22(19)28-24(20)25(29-23)27(32)33-14-21-17-9-3-1-7-15(17)16-8-2-4-10-18(16)21/h1-12,21,23,25,28-29H,13-14H2,(H,30,31)/p-1/t23-,25+/m1/s1
JDCQBHAAIOTCHZ-NOZRDPDXSA-M
C1[C@@H](N[C@@H](C2=C1C3=CC=CC=C3N2)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)[O-]
C27H21N2O4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
437.5 g/mol
Property Name
XLogP3-AA
Property Value
2.7
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
4
Property Name
Exact Mass
Property Value
437.15013216 g/mol
Property Name
Monoisotopic Mass
Property Value
437.15013216 g/mol
Property Name
Topological Polar Surface Area
Property Value
94.3 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
731
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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