CID 51717408
PubChem CID
51717408
Structure
Molecular Formula
Status
Non-live
Molecular Weight
427.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
dimethyl-[(1S)-2-[(2R)-1'-methyl-2',4-dioxospiro[1H-quinazoline-2,3'-indole]-3-yl]-1-phenylethyl]azanium
InChI=1S/C26H26N4O2/c1-28(2)23(18-11-5-4-6-12-18)17-30-24(31)19-13-7-9-15-21(19)27-26(30)20-14-8-10-16-22(20)29(3)25(26)32/h4-16,23,27H,17H2,1-3H3/p+1/t23-,26-/m1/s1
ZUMVUJUNFASJBG-ZEQKJWHPSA-O
CN1C2=CC=CC=C2[C@@]3(C1=O)NC4=CC=CC=C4C(=O)N3C[C@H](C5=CC=CC=C5)[NH+](C)C
C26H27N4O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
427.5 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
427.21340112 g/mol
Property Name
Monoisotopic Mass
Property Value
427.21340112 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.1 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
721
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