Metabolite (S)-DM-6717

Name
(S)-DM-6717
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 480.44
Monoisotopic: 480.150820958
Chemical Formula
C23H23F3N2O6
InChI Key
GRRLCOLFIQJMNI-QFIPXVFZSA-N
InChI
InChI=1S/C23H23F3N2O6/c1-22(20(29)27-21(30)34-22)14-31-16-4-2-15(3-5-16)28-12-10-18(11-13-28)32-17-6-8-19(9-7-17)33-23(24,25)26/h2-9,18H,10-14H2,1H3,(H,27,29,30)/t22-/m0/s1
IUPAC Name
(5S)-5-methyl-5-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-1,3-oxazolidine-2,4-dione
SMILES
C[C@@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)OC(=O)NC1=O
Reactions
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00562 mg/mLALOGPS
logP4.68ALOGPS
logP4.54ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)6.61ChemAxon
pKa (Strongest Basic)5.47ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area86.33 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity109.59 m3·mol-1ChemAxon
Polarizability45.32 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon