CID 51722477
PubChem CID
51722477
Structure
Molecular Formula
Status
Non-live
Molecular Weight
413.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[(1S)-2-[(3S)-2,4'-dioxospiro[1H-indole-3,2'-1H-quinazoline]-3'-yl]-1-phenylethyl]-dimethylazanium
InChI=1S/C25H24N4O2/c1-28(2)22(17-10-4-3-5-11-17)16-29-23(30)18-12-6-8-14-20(18)27-25(29)19-13-7-9-15-21(19)26-24(25)31/h3-15,22,27H,16H2,1-2H3,(H,26,31)/p+1/t22-,25+/m1/s1
OYBOOSWHSZRNLY-RDGATRHJSA-O
C[NH+](C)[C@H](CN1C(=O)C2=CC=CC=C2N[C@@]13C4=CC=CC=C4NC3=O)C5=CC=CC=C5
C25H25N4O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
413.5 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
413.19775105 g/mol
Property Name
Monoisotopic Mass
Property Value
413.19775105 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.9 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
691
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
CONTENTS