2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-4-(4-(4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE

CAS号
184177-83-1
CCD编号
CCD07470489
分子式
C23 H29 N5 O3
分子量
423.514

基本信息

产品名称: 2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-4-(4-(4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE
CAS: 184177-83-1
英文同义词: 2-(2(S)-BENZYLOXY-1(S)-ETHYL-PROPYL)-4-{4-[4-(4-HYDROXY-PHENYL)-PIPERAZIN-1-YL]-PHENYL}-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE ; POSACONAZOLE SIDE CHAIN ; 2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-4-(4-(4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE
MDL号: MFCD22543845
氢键受体数量: 8
氢键供体数量: 2
Smile: CC[C@@H]([C@H](C)O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)O
InChi: InChI=1S/C23H29N5O3/c1-3-22(17(2)29)28-23(31)27(16-24-28)20-6-4-18(5-7-20)25-12-14-26(15-13-25)19-8-10-21(30)11-9-19/h4-11,16-17,22,29-30H,3,12-15H2,1-2H3/t17-,22-/m0/s1
InChiKey: InChIKey=MKXULDIKWHPPDH-JTSKRJEESA-N

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