CID 30608399
PubChem CID
30608399
Structure
Molecular Formula
Status
Non-live
Molecular Weight
362.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
InChI=1S/C18H26N4O2S/c1-2-20-7-9-21(10-8-20)16(23)11-13-12-25-18-19-15-6-4-3-5-14(15)17(24)22(13)18/h13H,2-12H2,1H3/t13-/m0/s1
FYOXLULPNPEGJJ-ZDUSSCGKSA-N
CCN1CCN(CC1)C(=O)C[C@H]2CSC3=NC4=C(CCCC4)C(=O)N23
C18H26N4O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
362.5 g/mol
Property Name
XLogP3-AA
Property Value
1.1
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
3
Property Name
Exact Mass
Property Value
362.17764726 g/mol
Property Name
Monoisotopic Mass
Property Value
362.17764726 g/mol
Property Name
Topological Polar Surface Area
Property Value
81.5 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
637
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
CONTENTS