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Bischof-5

CAT: 0931-T30471-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30471-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1446200-49-2
Target
Others
Related Pathways
Others
Bioactivity
Bischof-5 is a biochemical
Smiles
O=C(NC1=NC=2C=CC(=CC2N1)C(F)(F)F)C=3N=C(SC3)NC(=O)C=4C=CC=CC4OC(F)(F)F
Molecular Formula
C20H11F6N5O3S
Molecular Weight
515.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-{[2-(Trifluoromethoxy)benzoyl]amino}-N-[6-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]-1,3-Thiazole-4-Carboxamide
CAS Number1446200-49-2
PubChem CID70679288
IUPAC Name2-[[2-(trifluoromethoxy)benzoyl]amino]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
Molecular FormulaC20H11F6N5O3S
Molecular Weight515.4
XLogP5.3
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity787
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)C(=O)NC3=NC4=C(N3)C=C(C=C4)C(F)(F)F)OC(F)(F)F
InChI
InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)
InChIKey
GUWQZSKMUJFZMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-{[2-(Trifluoromethoxy)benzoyl]amino}-N-[6-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]-1,3-Thiazole-4-Carboxamide
CAS: 1446200-49-2
CID: 70679288
Formula: C20H11F6N5O3S
MW: 515.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.4
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass515.04867938
Monoisotopic Mass515.04867938
Topological Polar Surface Area137 Ų
Heavy Atom Count35
Formal Charge0
Complexity787
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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