CID 42192437
PubChem CID
42192437
Structure
Molecular Formula
Status
Non-live
Molecular Weight
330.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
benzyl-methyl-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]azanium
InChI=1S/C18H23N3OS/c1-14-19-17(13-23-14)18(22)21-10-6-9-16(12-21)20(2)11-15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3/p+1/t16-/m1/s1
ZMZLCJBUJLENQM-MRXNPFEDSA-O
CC1=NC(=CS1)C(=O)N2CCC[C@H](C2)[NH+](C)CC3=CC=CC=C3
C18H24N3OS+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
330.5 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
330.16400857 g/mol
Property Name
Monoisotopic Mass
Property Value
330.16400857 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.9 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
400
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