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Antimalarial agent 10

CAT: 0013-GTR19186168-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186168-02Size:50 mg
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Description
Antimalarial agent 10
CAS Number
2747280-03-9
Field of Research
Infectious Disease & Virology
Smiles
C (F) (F) (F) C=1C2=C (C ([C@@H] (CN[C@@H] (CC3=CC=CC=C3) COC) O) =CC (C (F) (F) F) =N2) C=CC1
Molecular Formula
C23H22F6N2O2
Molecular Weight
472.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antimalarial agent 10
CAS Number2747280-03-9
PubChem CID163196307
IUPAC Name(1S)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]ethanol
Molecular FormulaC23H22F6N2O2
Molecular Weight472.4
XLogP4.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity596
SMILES
COC[C@H](CC1=CC=CC=C1)NC[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C23H22F6N2O2/c1-33-13-15(10-14-6-3-2-4-7-14)30-12-19(32)17-11-20(23(27,28)29)31-21-16(17)8-5-9-18(21)22(24,25)26/h2-9,11,15,19,30,32H,10,12-13H2,1H3/t15-,19+/m0/s1
InChIKey
TZXAENYIJDOHQI-HNAYVOBHSA-N
Chemical Structure
2D Structure
2D structure of Antimalarial agent 10
CAS: 2747280-03-9
CID: 163196307
Formula: C23H22F6N2O2
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass472.15854692
Monoisotopic Mass472.15854692
Topological Polar Surface Area54.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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