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ZM223 100mg

CAT: 0628-A17174-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A17174-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2031177-48-5

Chemical Information

N-[6-[[2-(4-Aminophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]-4-(trifluoromethyl)benzamide
CAS Number2031177-48-5
PubChem CID137628630
IUPAC NameN-[6-[[2-(4-aminophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]-4-(trifluoromethyl)benzamide
Molecular FormulaC23H17F3N4O2S2
Molecular Weight502.5
XLogP5.2
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity713
SMILES
C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)N)C(F)(F)F
InChI
InChI=1S/C23H17F3N4O2S2/c24-23(25,26)14-3-1-13(2-4-14)21(32)30-22-29-18-10-7-16(11-19(18)34-22)28-20(31)12-33-17-8-5-15(27)6-9-17/h1-11H,12,27H2,(H,28,31)(H,29,30,32)
InChIKey
XPPKZMFJCSEUSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[6-[[2-(4-Aminophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]-4-(trifluoromethyl)benzamide
CAS: 2031177-48-5
CID: 137628630
Formula: C23H17F3N4O2S2
MW: 502.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.5
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass502.07450263
Monoisotopic Mass502.07450263
Topological Polar Surface Area151 Ų
Heavy Atom Count34
Formal Charge0
Complexity713
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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