Name: Name:4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Brand: Angene
SKU: AG001NOX
Rating: 90 (10 reviews)

4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

CAS No.:

155180-53-3

Catalog Number:

AG001NOX

Molecular Formula:

C17H18F3N3O2S

Molecular Weight:

385.4039

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG001NOX

Chemical Name:

4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

CAS Number:

155180-53-3

Molecular Formula:

C17H18F3N3O2S

Molecular Weight:

385.4039

MDL Number:

MFCD00925775

IUPAC Name:

4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

InChI:

InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3

InChI Key:

FIDNKDVRTLFETI-UHFFFAOYSA-N

SMILES:

OCCCCN1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N

Properties

Complexity:

614

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

385.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

385.405g/mol

Monoisotopic Mass:

385.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Structure-activity relationship for thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer (CRPC).	Journal of medicinal chemistry 20100408
Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain.	Journal of medicinal chemistry 20050224
Synthesis and structure-activity investigation of iodinated arylhydantoins and arylthiohydantoins for development as androgen receptor radioligands.	Bioorganic & medicinal chemistry letters 20041101

Properties