- 3 of 3 defined stereocentres
- Non-standard isotope
5-{[(2S,3R)-2-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}(3-~13~C,1,2-~15~N_2_)-2,4-dihydro-3H-1,2,4-triazol-3-one
C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](C3=CC=C(C=C3)F)N(CCO2)CC4=N[13C](=[15N][15NH]4)O C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@H](N(CCO2)Cc3[nH][13c](=O)[15nH][15n]3)c4ccc(cc4)F
InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m0/s1/i21+1,32+1,33+1
ATALOFNDEOCMKK-URBVUAAHSA-N
CSID:58780633, http://www.chemspider.com/Chemical-Structure.58780633.html (accessed 10:34, Mar 28, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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