955691-80-2
4-FLUORO-N-[4-METHYL-5-[[4-(PHENYLMETHYL)-1-PIPERAZINYL]CARBONYL]-2-THIAZOLYL]-BENZENESULFONAMIDE
Name4-FLUORO-N-[4-METHYL-5-[[4-(PHENYLMETHYL)-1-PIPERAZINYL]CARBONYL]-2-THIAZOLYL]-BENZENESULFONAMIDE
FormulaC22 H23 F N4 O3 S2
1Identification
【Name】
4-FLUORO-N-[4-METHYL-5-[[4-(PHENYLMETHYL)-1-PIPERAZINYL]CARBONYL]-2-THIAZOLYL]-BENZENESULFONAMIDE
【CAS】
【MDL】
MFCD15528479
【English Synonyms】
【Formula】
C22 H23 F N4 O3 S2
【MolWeight】
474.579
【Inchi】
InChI=1S/C22H23FN4O3S2/c1-16-20(31-22(24-16)25-32(29,30)19-9-7-18(23)8-10-19)21(28)27-13-11-26(12-14-27)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,24,25)
【InChIKey】
InChIKey=HHZZGYWTKTVNHP-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)NS(=O)(=O)c2ccc(cc2)F)C(=O)N3CCN(CC3)Cc4ccccc4
【MOL File】
4-FLUORO-N-[4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-FLUORO-N-[4-METHYL-5-[[4-(PHENYLMETHYL)-1-PIPERAZINYL]CARBONYL]-2-THIAZOLYL]-BENZENESULFONAMIDE.cml