Metabolite M6 enzalutamide
- Name
- M6 enzalutamide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- KLY798P76T
- CAS number
- Not Available
- Weight
- Average: 480.44
Monoisotopic: 480.087924217 - Chemical Formula
- C21H16F4N4O3S
- InChI Key
- GCQDHCAKABLTGP-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H16F4N4O3S/c1-20(2)18(32)28(12-4-3-11(9-26)15(7-12)21(23,24)25)19(33)29(20)13-5-6-14(16(22)8-13)17(31)27-10-30/h3-8,30H,10H2,1-2H3,(H,27,31)
- IUPAC Name
- 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-(hydroxymethyl)benzamide
- 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(=O)NCO
- Reactions
- Enzalutamide M6 enzalutamide
- M6 enzalutamide N-desmethyl enzalutamide
- N-desmethyl enzalutamide Carboxyl metabolite enzalutamide (M1)
- M6 enzalutamide N-desmethyl enzalutamide
- Enzalutamide M6 enzalutamide
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00142 mg/mL ALOGPS logP 3.18 ALOGPS logP 3.58 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 12.73 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 96.67 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 114.58 m3·mol-1 Chemaxon Polarizability 43.76 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon