Metabolite DM-6705

Name
DM-6705
Description
Not Available
Structure
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
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00377 mg/mLALOGPS
logP4.63ALOGPS
logP4.85ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)19.23ChemAxon
pKa (Strongest Basic)7.48ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area78.54 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity111.81 m3·mol-1ChemAxon
Polarizability46.03 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon