Delamanid D4
HIT212667042
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HIT ID: HIT212667042
Cas No: 2747917-54-8
分子式: C25H25F3N4O6
分子量: 538.517
常用名: Delamanid D4
氢键受体数 (HBA): 8
氢键供体数 (HBD): 0
LogP: 6.1437073
IUPAC: 1-(4-{[(2R)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}(2,3,5,6-2H4)phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine
IUPAC: 1-(4-{[(2R)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}(2,3,5,6-2H4)phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1OC[C@@]1(C)Cn2cc(nc2O1)[N+]([O-])=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1OC[C@@]1(C)Cn2cc(nc2O1)[N+]([O-])=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
InChI key: XDAOLTSRNUSPPH-HALYWNOZSA-N
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