Metabolite DM-6705
- Name
- DM-6705
- Description
- Not Available
- Structure
Structure for DM-6705
- Synonyms
- Not Available
- UNII
- Y569TM2AT2
- CAS number
- Not Available
- Weight
- Average: 465.473
Monoisotopic: 465.187540818 - Chemical Formula
- C23H26F3N3O4
- InChI Key
- YDAIKJSLITWSBP-JOCHJYFZSA-N
- InChI
- InChI=1S/C23H26F3N3O4/c1-22(14-28-21(27)33-22)15-30-17-4-2-16(3-5-17)29-12-10-19(11-13-29)31-18-6-8-20(9-7-18)32-23(24,25)26/h2-9,19H,10-15H2,1H3,(H2,27,28)/t22-/m1/s1
- IUPAC Name
- (5R)-5-methyl-5-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
- SMILES
- C[C@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)CN=C(N)O1
- Reactions
- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00377 mg/mL ALOGPS logP 4.63 ALOGPS logP 4.85 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 19.23 Chemaxon pKa (Strongest Basic) 7.48 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 78.54 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 111.81 m3·mol-1 Chemaxon Polarizability 46.03 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