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A350619 Hydrochloride

CAT: 0926-SYB20117-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-SYB20117-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217201-17-6
Smiles
CN (C) CCCCNC (=O) /C=C/C1=CC=CC=C1SC2=CC=C (C=C2) Cl.Cl
Molecular Formula
C21H26Cl2N2OS
Molecular Weight
425.41 g/mol
Controlled
No

Chemical Information

A-350619 hydrochloride
CAS Number1217201-17-6
PubChem CID56924282
IUPAC Name(E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-[4-(dimethylamino)butyl]prop-2-enamide;hydrochloride
Molecular FormulaC21H26Cl2N2OS
Molecular Weight425.4
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity436
SMILES
CN(C)CCCCNC(=O)/C=C/C1=CC=CC=C1SC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C21H25ClN2OS.ClH/c1-24(2)16-6-5-15-23-21(25)14-9-17-7-3-4-8-20(17)26-19-12-10-18(22)11-13-19;/h3-4,7-14H,5-6,15-16H2,1-2H3,(H,23,25);1H/b14-9+;
InChIKey
PDVBHWZPRQFKJS-KYIGKLDSSA-N
Chemical Structure
2D Structure
2D structure of A-350619 hydrochloride
CAS: 1217201-17-6
CID: 56924282
Formula: C21H26Cl2N2OS
MW: 425.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass424.1142900
Monoisotopic Mass424.1142900
Topological Polar Surface Area57.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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