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SR-33805

CAT: 0013-GTR19208162-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208162-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR-33805
CAS Number
121346-32-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
S (=O) (=O) (C1=C (C (C) C) C=2C (N1C) =CC=CC2) C3=CC=C (OCCCN (CCC4=CC (OC) =C (OC) C=C4) C) C=C3
Molecular Formula
C32H40N2O5S
Molecular Weight
564.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3,4-dimethoxyphenethyl)-3-(4-(3-isopropyl-1-methyl-1H-indol-2-ylsulfonyl)phenoxy)-N-methylpropan-1-amine
CAS Number121346-32-5
PubChem CID9850876
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amine
Molecular FormulaC32H40N2O5S
Molecular Weight564.7
XLogP6.5
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity856
SMILES
CC(C)C1=C(N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C32H40N2O5S/c1-23(2)31-27-10-7-8-11-28(27)34(4)32(31)40(35,36)26-15-13-25(14-16-26)39-21-9-19-33(3)20-18-24-12-17-29(37-5)30(22-24)38-6/h7-8,10-17,22-23H,9,18-21H2,1-6H3
InChIKey
GCVFQRRBTCHIPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-dimethoxyphenethyl)-3-(4-(3-isopropyl-1-methyl-1H-indol-2-ylsulfonyl)phenoxy)-N-methylpropan-1-amine
CAS: 121346-32-5
CID: 9850876
Formula: C32H40N2O5S
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.7
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass564.26579355
Monoisotopic Mass564.26579355
Topological Polar Surface Area78.4 Ų
Heavy Atom Count40
Formal Charge0
Complexity856
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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