Metabolite Carboxyl metabolite enzalutamide (M1)
- Name
- Carboxyl metabolite enzalutamide (M1)
- Description
- Not Available
- Structure
Structure for Carboxyl metabolite enzalutamide (M1)
- Synonyms
- Not Available
- UNII
- YF8MAL2HDY
- CAS number
- Not Available
- Weight
- Average: 451.4
Monoisotopic: 451.061375117 - Chemical Formula
- C20H13F4N3O3S
- InChI Key
- MECDPCCFIDQBBP-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H13F4N3O3S/c1-19(2)17(30)26(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)27(19)12-5-6-13(16(28)29)15(21)8-12/h3-8H,1-2H3,(H,28,29)
- IUPAC Name
- 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluorobenzoic acid
- 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)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 57580430
- Predicted Properties
Property Value Source Water Solubility 0.00156 mg/mL ALOGPS logP 3.79 ALOGPS logP 4.74 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 3.39 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 84.64 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 106.76 m3·mol-1 Chemaxon Polarizability 40.01 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