CID 25706915
PubChem CID
25706915
Structure
Molecular Formula
Status
Non-live
Molecular Weight
380.3 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
(3,4-dichlorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
InChI=1S/C20H24Cl2N2O/c1-13(2)16-6-8-17(9-7-16)23-20(25)14(3)24(4)12-15-5-10-18(21)19(22)11-15/h5-11,13-14H,12H2,1-4H3,(H,23,25)/p+1/t14-/m0/s1
DXNIJQPGDKQYNI-AWEZNQCLSA-O
C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+](C)CC2=CC(=C(C=C2)Cl)Cl
C20H25Cl2N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
380.3 g/mol
Property Name
XLogP3-AA
Property Value
5.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
379.1343938 g/mol
Property Name
Monoisotopic Mass
Property Value
379.1343938 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.5 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
424
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