Metabolite N-desmethyl enzalutamide
- Name
- N-desmethyl enzalutamide
- Description
- Not Available
- Structure
Structure for N-desmethyl enzalutamide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 450.41
Monoisotopic: 450.077359533 - Chemical Formula
- C20H14F4N4O2S
- InChI Key
- JSFOGZGIBIQRPU-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H14F4N4O2S/c1-19(2)17(30)27(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)28(19)12-5-6-13(16(26)29)15(21)8-12/h3-8H,1-2H3,(H2,26,29)
- IUPAC Name
- 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluorobenzamide
- SMILES
- CC1(C)N(C(=S)N(C1=O)C1=CC=C(C#N)C(=C1)C(F)(F)F)C1=CC(F)=C(C=C1)C(N)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0255117
- ChemSpider
- 28533218
- ChEBI
- 68538
- ZINC
- ZINC000087529979
- Wikipedia
- N-Desmethylenzalutamide
- Predicted Properties
Property Value Source Water Solubility 0.00178 mg/mL ALOGPS logP 3.57 ALOGPS logP 3.93 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 12.7 Chemaxon pKa (Strongest Basic) -1.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.43 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 108.58 m3·mol-1 Chemaxon Polarizability 40.42 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon