Bifeprunox

CAT: 0926-APA99210-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-APA99210-01Size:25 mg

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CAS Number

350992-10-8

MDL Number

MFCD09837912

Smiles

COC1=CC=C (C=C1) C2=CC (=NC (=C2C#N) SCCCC3CCCCC3) C4=CC=CC=C4

Molecular Formula

C24H23N3O2

Molecular Weight

385.5 g/mol

Controlled

Chemical Information

Bifeprunox

Bifeprunox is a member of biphenyls.

CAS Number	350992-10-8
PubChem CID	208951
IUPAC Name	7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
Molecular Formula	C24H23N3O2
Molecular Weight	385.5
XLogP	4.2
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	556

SMILES

C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5

InChI

InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)

InChIKey

CYGODHVAJQTCBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 350992-10-8

CID: 208951

Formula: C24H23N3O2

MW: 385.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.5
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	385.17902698
Monoisotopic Mass	385.17902698
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	556
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