Name: Artefenomel
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT214314940
Cas No:1029939-86-3
常用名:Artefenomel
别名:OZ439, OZ 439
IUPAC:4-(2-{4-[(1s,3s,4's,4''s)-dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexan]-4''-yl]phenoxy}ethyl)morpholine
IUPAC:4-(2-{4-[(1s,3s,4's,4''s)-dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexan]-4''-yl]phenoxy}ethyl)morpholine
InChI key:XLCNVWUKICLURR-VFXIDCLRSA-N

分子式:C28H39NO5
分子量:469.622
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC3CC(C1)C[C@@]([H])(C3)C21OO[C@@]2(CC[C@@H](CC2)c2ccc(OCCN3CCOCC3)cc2)O1 |wU:14.40,1.0,wD:17.23,8.9,(-.43,-1.92,;1.06,-2.32,;2.43,-3.02,;3.8,-2.32,;3.8,-.92,;2.43,-.23,;1.06,-.92,;1.59,-1.7,;1.59,-3.1,;1.59,-4.64,;2.96,-3.79,;.22,-3.79,;.44,-5.31,;-.94,-6,;-2.01,-4.9,;-2.58,-6.33,;-4.1,-6.55,;-5.06,-5.34,;-4.49,-3.91,;-2.97,-3.69,;-6.58,-5.57,;-7.54,-4.36,;-9.06,-4.58,;-9.63,-6.01,;-11.16,-6.24,;-11.72,-7.67,;-13.25,-7.89,;-13.82,-9.32,;-12.86,-10.53,;-13.43,-11.96,;-14.95,-12.19,;-15.91,-10.98,;-15.34,-9.55,;-8.68,-7.22,;-7.15,-7,;-1.3,-3.53,)|
SMILES:[H][C@]12CC3CC(C1)C[C@@]([H])(C3)C21OO[C@@]2(CC[C@@H](CC2)c2ccc(OCCN3CCOCC3)cc2)O1 |wU:14.40,1.0,wD:17.23,8.9,(-.43,-1.92,;1.06,-2.32,;2.43,-3.02,;3.8,-2.32,;3.8,-.92,;2.43,-.23,;1.06,-.92,;1.59,-1.7,;1.59,-3.1,;1.59,-4.64,;2.96,-3.79,;.22,-3.79,;.44,-5.31,;-.94,-6,;-2.01,-4.9,;-2.58,-6.33,;-4.1,-6.55,;-5.06,-5.34,;-4.49,-3.91,;-2.97,-3.69,;-6.58,-5.57,;-7.54,-4.36,;-9.06,-4.58,;-9.63,-6.01,;-11.16,-6.24,;-11.72,-7.67,;-13.25,-7.89,;-13.82,-9.32,;-12.86,-10.53,;-13.43,-11.96,;-14.95,-12.19,;-15.91,-10.98,;-15.34,-9.55,;-8.68,-7.22,;-7.15,-7,;-1.3,-3.53,)|

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