"100.43" . "8.95" . "O=C1NNC(=O)C2=CC(=CC=C12)[N+]1=NC(\\C=C\\C2=CC=CC=C2)=NN1C1=NC2=C(S1)C=CC=C2" . "ALOGPS" . "10.3" . "241.1974" . "ChemAxon" . "-1.9" . "303.3529" . "23.58" . "64.04" . "(2S)-4-(methylsulfanyl)-N-(pyridin-4-yl)-2-{[(1s,4s)-4-methylcyclohexyl]formamido}butanamide" . "InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)" . "2.32e-05 g/l" . "0" . "2" . "fosaprepitant" . "521.011395223" . "[H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O" .