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PTACH (NCH 51) 5mg

CAT: 0628-A15355-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15355-5Size:5 mg
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CAS Number
848354-66-5

Chemical Information

Ptach

2-methylpropanethioic acid S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester is an aromatic amide.

CAS Number848354-66-5
PubChem CID11395181
IUPAC NameS-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate
Molecular FormulaC20H26N2O2S2
Molecular Weight390.6
XLogP5.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity440
SMILES
CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C20H26N2O2S2/c1-15(2)19(24)25-13-9-4-3-8-12-18(23)22-20-21-17(14-26-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,21,22,23)
InChIKey
MDYDGUOQFUQOGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ptach
CAS: 848354-66-5
CID: 11395181
Formula: C20H26N2O2S2
MW: 390.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight390.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass390.14357042
Monoisotopic Mass390.14357042
Topological Polar Surface Area113 Ų
Heavy Atom Count26
Formal Charge0
Complexity440
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