CID 44670364
PubChem CID
44670364
Structure
Molecular Formula
Status
Non-live
Molecular Weight
444.0 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
diethyl-[3-[2-(2-methylpropanoylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-3-oxopropyl]azanium;chloride
InChI=1S/C25H33N3O2.ClH/c1-5-27(6-2)16-15-24(29)28-22-10-8-7-9-19(22)11-12-20-13-14-21(17-23(20)28)26-25(30)18(3)4;/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,26,30);1H
UFCYNATVZRUSFU-UHFFFAOYSA-N
CC[NH+](CC)CCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C(C)C.[Cl-]
C25H34ClN3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
444.0 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
443.2339550 g/mol
Property Name
Monoisotopic Mass
Property Value
443.2339550 g/mol
Property Name
Topological Polar Surface Area
Property Value
53.9A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
575
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS