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HDAC-IN-5 1mg

CAT: 0628-A20972-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A20972-1Size:1 mg
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CAS Number
1314890-51-1

Chemical Information

N-{[1-Methyl-4-(4-Phenyl-1,3-Thiazol-2-Yl)piperidin-4-Yl]methyl}-3-[5-(Trifluoromethyl)-1,2,4-Oxadiazol-3-Yl]benzamide
CAS Number1314890-51-1
PubChem CID69950064
IUPAC NameN-[[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
Molecular FormulaC26H24F3N5O2S
Molecular Weight527.6
XLogP5
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity776
SMILES
CN1CCC(CC1)(CNC(=O)C2=CC=CC(=C2)C3=NOC(=N3)C(F)(F)F)C4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
InChIKey
BQFISAUAZNJOEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-{[1-Methyl-4-(4-Phenyl-1,3-Thiazol-2-Yl)piperidin-4-Yl]methyl}-3-[5-(Trifluoromethyl)-1,2,4-Oxadiazol-3-Yl]benzamide
CAS: 1314890-51-1
CID: 69950064
Formula: C26H24F3N5O2S
MW: 527.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass527.16028069
Monoisotopic Mass527.16028069
Topological Polar Surface Area112 Ų
Heavy Atom Count37
Formal Charge0
Complexity776
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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