CID 30004947
PubChem CID
30004947
Structure
Molecular Formula
Status
Non-live
Molecular Weight
424.9 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
InChI=1S/C22H17ClN2O3S/c1-14(20(26)15-8-10-16(23)11-9-15)29-22-24-19-7-3-2-6-18(19)21(27)25(22)13-17-5-4-12-28-17/h2-12,14H,13H2,1H3/t14-/m1/s1
BJHFWWXGCMGIRH-CQSZACIVSA-N
C[C@H](C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4
C22H17ClN2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
424.9 g/mol
Property Name
XLogP3-AA
Property Value
4.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
424.0648413 g/mol
Property Name
Monoisotopic Mass
Property Value
424.0648413 g/mol
Property Name
Topological Polar Surface Area
Property Value
88.2 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
650
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
Old substance
CONTENTS