CID 42384435
PubChem CID
42384435
Structure
Molecular Formula
Status
Non-live
Molecular Weight
348.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(5R)-9-(cyclopropylmethyl)-2-aza-9-azoniaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
InChI=1S/C19H29N3OS/c1-14(2)17-20-16(11-24-17)18(23)22-9-7-19(13-22)6-3-8-21(12-19)10-15-4-5-15/h11,14-15H,3-10,12-13H2,1-2H3/p+1/t19-/m0/s1
IFFPORYURIADGG-IBGZPJMESA-O
CC(C)C1=NC(=CS1)C(=O)N2CC[C@@]3(C2)CCC[NH+](C3)CC4CC4
C19H30N3OS+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
348.5 g/mol
Property Name
XLogP3-AA
Property Value
3.4
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
348.21095876 g/mol
Property Name
Monoisotopic Mass
Property Value
348.21095876 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.9 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
481
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