955691-64-2
4-FLUORO-N-[5-[(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYL]-4-METHYL-2-THIAZOLYL]-BENZENESULFONAMIDE
Name4-FLUORO-N-[5-[(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYL]-4-METHYL-2-THIAZOLYL]-BENZENESULFONAMIDE
FormulaC17 H20 F N3 O3 S2
1Identification
【Name】
4-FLUORO-N-[5-[(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYL]-4-METHYL-2-THIAZOLYL]-BENZENESULFONAMIDE
【CAS】
【MDL】
MFCD15528476
【English Synonyms】
【Formula】
C17 H20 F N3 O3 S2
【MolWeight】
397.493
【Inchi】
InChI=1S/C17H20FN3O3S2/c1-12-15(16(22)21-10-4-2-3-5-11-21)25-17(19-12)20-26(23,24)14-8-6-13(18)7-9-14/h6-9H,2-5,10-11H2,1H3,(H,19,20)
【InChIKey】
InChIKey=RHJLFDRDJITYRH-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)NS(=O)(=O)c2ccc(cc2)F)C(=O)N3CCCCCC3
【MOL File】
4-FLUORO-N-[5-[(HEXA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-FLUORO-N-[5-[(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYL]-4-METHYL-2-THIAZOLYL]-BENZENESULFONAMIDE.cml