125153-61-9
5-(1-CYANO-4-((2-(5-FLUORO-2-METHOXYPHENOXY)ETHYL)AMINO)-1-ISOPROPYLBUTYL)-2-METHOXYBENZENESULFONAMIDE
Name5-(1-CYANO-4-((2-(5-FLUORO-2-METHOXYPHENOXY)ETHYL)AMINO)-1-ISOPROPYLBUTYL)-2-METHOXYBENZENESULFONAMIDE
1Identification
【Name】
5-(1-CYANO-4-((2-(5-FLUORO-2-METHOXYPHENOXY)ETHYL)AMINO)-1-ISOPROPYLBUTYL)-2-METHOXYBENZENESULFONAMIDE
【CAS】
【MDL】
MFCD00900033
【English Synonyms】
【Formula】
C24 H32 F N3 O5 S
【MolWeight】
493.597
【Inchi】
InChI=1S/C24H32FN3O5S/c1-17(2)24(16-26,18-6-8-21(32-4)23(14-18)34(27,29)30)10-5-11-28-12-13-33-22-15-19(25)7-9-20(22)31-3/h6-9,14-15,17,28H,5,10-13H2,1-4H3,(H2,27,29,30)
【InChIKey】
InChIKey=OAXQHJIZJYKTTD-UHFFFAOYSA-N
【SMILES】
CC(C)C(CCCNCCOc1cc(ccc1OC)F)(C#N)c2ccc(c(c2)S(=O)(=O)N)OC
【MOL File】
5-(1-CYANO-4-((2-(5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(1-CYANO-4-((2-(5-FLUORO-2-METHOXYPHENOXY)ETHYL)AMINO)-1-ISOPROPYLBUTYL)-2-METHOXYBENZENESULFONAMIDE.cml