Metabolite M4 apalutamide
- Name
- M4 apalutamide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Y58Z86OCE2
- CAS number
- Not Available
- Weight
- Average: 464.39
Monoisotopic: 464.056624088 - Chemical Formula
- C20H12F4N4O3S
- InChI Key
- ICXCBGDFYFFSGX-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H12F4N4O3S/c21-14-7-10(2-3-12(14)16(29)30)28-18(32)27(17(31)19(28)4-1-5-19)11-6-13(20(22,23)24)15(8-25)26-9-11/h2-3,6-7,9H,1,4-5H2,(H,29,30)
- IUPAC Name
- 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluorobenzoic acid
- SMILES
- OC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F
- Reactions
- Apalutamide N-desmethyl apalutamide
- N-desmethyl apalutamide M4 apalutamide
- Apalutamide N-desmethyl apalutamide
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 81367430
- Predicted Properties
Property Value Source logP 4.04 Chemaxon pKa (Strongest Acidic) 3.39 Chemaxon pKa (Strongest Basic) 0.18 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 97.53 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 106.88 m3·mol-1 Chemaxon Polarizability 40.67 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon