Metabolite (S)-DM-6718
- Name
- (S)-DM-6718
- Description
- Not Available
- Structure
Structure for (S)-DM-6718
- Synonyms
- Not Available
- UNII
- 5M6F340U2F
- CAS number
- Not Available
- Weight
- Average: 479.456
Monoisotopic: 479.166805374 - Chemical Formula
- C23H24F3N3O5
- InChI Key
- ZYRGKDSOTQSDFK-QFIPXVFZSA-N
- InChI
- InChI=1S/C23H24F3N3O5/c1-22(20(30)28-21(27)34-22)14-31-16-4-2-15(3-5-16)29-12-10-18(11-13-29)32-17-6-8-19(9-7-17)33-23(24,25)26/h2-9,18H,10-14H2,1H3,(H2,27,28,30)/t22-/m0/s1
- IUPAC Name
- (5S)-2-imino-5-methyl-5-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-1,3-oxazolidin-4-one
- SMILES
- [H]N1C(=N)O[[email protected]@](C)(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)C1=O
- Reactions
- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00512 mg/mL ALOGPS logP 4.18 ALOGPS logP 4.74 ChemAxon logS -5 ALOGPS pKa (Strongest Acidic) 9.92 ChemAxon pKa (Strongest Basic) 5.51 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 7 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 93.11 Å2 ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 122.33 m3·mol-1 ChemAxon Polarizability 45.89 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 Yes ChemAxon