Name: | 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 |
Synonyms: | 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 ; 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 |
MDL.: | MFCD22543845 |
H bond acceptor: | 8 |
H bond donor: | 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 |
2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-4-(4-(4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL)PHENYL)-2H-1,2,4-TRIAZOL-3(
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