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UCSF678

CAT: 0013-GTR19187872-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187872-02Size:50 mg
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Description
UCSF678
CAS Number
2361697-55-2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (NCC=1C2=C (C=CC1) C=CC=N2) C3 (S (C) (=O) =O) CC3
Molecular Formula
C15H18N2O2S
Molecular Weight
290.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

UCSF678 dihydrochloride
CAS Number2361697-55-2
PubChem CID139007318
IUPAC NameN-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine
Molecular FormulaC15H18N2O2S
Molecular Weight290.4
XLogP1.3
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity439
SMILES
CS(=O)(=O)C1(CC1)CNCC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C15H18N2O2S/c1-20(18,19)15(7-8-15)11-16-10-13-5-2-4-12-6-3-9-17-14(12)13/h2-6,9,16H,7-8,10-11H2,1H3
InChIKey
XLZCYVWXYHEXTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UCSF678 dihydrochloride
CAS: 2361697-55-2
CID: 139007318
Formula: C15H18N2O2S
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass290.10889899
Monoisotopic Mass290.10889899
Topological Polar Surface Area67.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity439
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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