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TVB-3664 10mg

CAT: 0628-A18829-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A18829-10Size:10 mg
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CAS Number
2097262-58-1

Chemical Information

4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
CAS Number2097262-58-1
PubChem CID129101638
IUPAC Name4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
Molecular FormulaC25H23F3N4O2
Molecular Weight468.5
XLogP3.8
Topological Polar Surface Area82
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity770
SMILES
CC1=CC(=C(C=C1C2=C(NC(=N2)C(F)(F)F)COC)C(=O)N3CC(C3)C4=CC=C(C=C4)C#N)C
InChI
InChI=1S/C25H23F3N4O2/c1-14-8-15(2)20(9-19(14)22-21(13-34-3)30-24(31-22)25(26,27)28)23(33)32-11-18(12-32)17-6-4-16(10-29)5-7-17/h4-9,18H,11-13H2,1-3H3,(H,30,31)
InChIKey
YFEOVRCUSPPGFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
CAS: 2097262-58-1
CID: 129101638
Formula: C25H23F3N4O2
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass468.17731048
Monoisotopic Mass468.17731048
Topological Polar Surface Area82 Ų
Heavy Atom Count34
Formal Charge0
Complexity770
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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