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DO-264 25mg

CAT: 0628-A18881-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A18881-25Size:25 mg
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CAS Number
2301866-59-9

Chemical Information

DO264
CAS Number2301866-59-9
PubChem CID134813646
IUPAC Name1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
Molecular FormulaC23H20Cl2F3N5O2S
Molecular Weight558.4
XLogP6.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity720
SMILES
C1CN(CCC1NC(=S)NC2=CN=CC=C2)C3=NC=CC(=C3Cl)OC4=C(C=C(C=C4)OC(F)(F)F)Cl
InChI
InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(35-23(26,27)28)3-4-18(17)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36)
InChIKey
PIEQDBPBBQPLPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DO264
CAS: 2301866-59-9
CID: 134813646
Formula: C23H20Cl2F3N5O2S
MW: 558.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.4
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass557.0666859
Monoisotopic Mass557.0666859
Topological Polar Surface Area104 Ų
Heavy Atom Count36
Formal Charge0
Complexity720
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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