CID 32278392
PubChem CID
32278392
Structure
Molecular Formula
Status
Non-live
Molecular Weight
395.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-N-benzyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
InChI=1S/C22H25N3O2S/c1-5-25(14-18-9-7-6-8-10-18)21(26)17(4)28-22-24-23-20(27-22)19-12-15(2)11-16(3)13-19/h6-13,17H,5,14H2,1-4H3/t17-/m0/s1
LSAAVYVGAPEAQK-KRWDZBQOSA-N
CCN(CC1=CC=CC=C1)C(=O)[C@H](C)SC2=NN=C(O2)C3=CC(=CC(=C3)C)C
C22H25N3O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
395.5 g/mol
Property Name
XLogP3-AA
Property Value
4.8
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
7
Property Name
Exact Mass
Property Value
395.16674822 g/mol
Property Name
Monoisotopic Mass
Property Value
395.16674822 g/mol
Property Name
Topological Polar Surface Area
Property Value
84.5A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
490
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
CONTENTS