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tert-Butyl ((1-(benzo[d]isothiazol-3-yl)piperidin-2-yl)methyl)carbamate
Nametert-Butyl ((1-(benzo[d]isothiazol-3-yl)piperidin-2-yl)methyl)carbamate
1Identification
【Name】
tert-Butyl ((1-(benzo[d]isothiazol-3-yl)piperidin-2-yl)methyl)carbamate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C18H25N3O2S
【MolWeight】
347.475
【Inchi】
InChI=1S/C18H25N3O2S/c1-18(2,3)23-17(22)19-12-13-8-6-7-11-21(13)16-14-9-4-5-10-15(14)24-20-16/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,19,22)
【InChIKey】
InChIKey=FDTAGAYLCZEALS-UHFFFAOYSA-N
【SMILES】
S1N=C(C2=C1C=CC=C2)N2C(CCCC2)CNC(OC(C)(C)C)=O
【MOL File】
tert-Butyl ((1-(benz….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
tert-Butyl ((1-(benzo[d]isothiazol-3-yl)piperidin-2-yl)methyl)carbamate.cml