1121545-23-0
4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile hydrochloride (1:1)
Name4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile hydrochloride (1:1)
1Identification
【Name】
4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile hydrochloride (1:1)
【CAS】
【MDL】
【English Synonyms】
【Formula】
C22H18ClF2N5OS
【MolWeight】
473.926
【Inchi】
InChI=1S/C22H17F2N5OS.ClH/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24;/h2-8,10,12-14,30H,11H2,1H3;1H/t14-,22+;/m0./s1
【InChIKey】
InChIKey=JSSOGUVIZGGZPU-ROYXODNVSA-N
【SMILES】
Cl.FC1=C(C=C(C=C1)F)[C@]([C@@H](C)C=1SC=C(N1)C1=CC=C(C#N)C=C1)(CN1N=CN=C1)O
【MOL File】
4-[2-[(1R,2R)-2-(2,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile hydrochloride (1:1).cml