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NNL-2

CAT: 0013-GTR19210203-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210203-03Size:100 mg
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Description
NNL-2
CAS Number
2205044-69-3
Smiles
C (=O) (C=1C=2C (N (CCCCCF) C1) =CC=CC2) N3CCN (CC4=CC=CC=C4) CC3
Molecular Formula
C25H30FN3O
Molecular Weight
407.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nnl-2
CAS Number2205044-69-3
PubChem CID129522110
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(5-fluoropentyl)indol-3-yl]methanone
Molecular FormulaC25H30FN3O
Molecular Weight407.5
XLogP4.1
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity530
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCCCF
InChI
InChI=1S/C25H30FN3O/c26-13-7-2-8-14-29-20-23(22-11-5-6-12-24(22)29)25(30)28-17-15-27(16-18-28)19-21-9-3-1-4-10-21/h1,3-6,9-12,20H,2,7-8,13-19H2
InChIKey
WHHDMGMJHFYVEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nnl-2
CAS: 2205044-69-3
CID: 129522110
Formula: C25H30FN3O
MW: 407.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass407.23729075
Monoisotopic Mass407.23729075
Topological Polar Surface Area28.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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