885459-95-0
METHYL [6,7-DIMETHOXY-2-(METHYLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]ACETATE
NameMETHYL [6,7-DIMETHOXY-2-(METHYLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]ACETATE
1Identification
【Name】
METHYL [6,7-DIMETHOXY-2-(METHYLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]ACETATE
【CAS】
【MDL】
MFCD06660690
【English Synonyms】
【Formula】
C15 H21 N O6 S
【MolWeight】
343.398
【Inchi】
InChI=1S/C15H21NO6S/c1-20-13-7-10-5-6-16(23(4,18)19)12(9-15(17)22-3)11(10)8-14(13)21-2/h7-8,12H,5-6,9H2,1-4H3
【InChIKey】
InChIKey=ISNAZXQRXFYYDQ-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)C(N(CC2)S(=O)(=O)C)CC(=O)OC
【MOL File】
METHYL [6,7-DIMETHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL [6,7-DIMETHOXY-2-(METHYLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]ACETATE.cml