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 Number	2097262-58-1
PubChem CID	129101638
IUPAC Name	4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
Molecular Formula	C25H23F3N4O2
Molecular Weight	468.5
XLogP	3.8
Topological Polar Surface Area	82
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	770

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

CAS: 2097262-58-1

CID: 129101638

Formula: C25H23F3N4O2

MW: 468.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	468.5
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	468.17731048
Monoisotopic Mass	468.17731048
Topological Polar Surface Area	82 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	770
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BA7718-5	TVB-3664
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TVB-3664 10mg

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