167710-87-4
1-[4-AMINO-5-CHLORO-2-(3,5-DIMETHOXYPHENYL)METHYLOXY]-3-[[1-[2-METHYLSULPHONYLAMINO]ETHYL]PIPERIDIN-4-YL]PROPAN-1-ONE HYDROCHLORIDE
Name1-[4-AMINO-5-CHLORO-2-(3,5-DIMETHOXYPHENYL)METHYLOXY]-3-[[1-[2-METHYLSULPHONYLAMINO]ETHYL]PIPERIDIN-4-YL]PROPAN-1-ONE HYDROCHLORIDE
FormulaC26 H36 Cl N3 O6 S . Cl H
1Identification
【Name】
1-[4-AMINO-5-CHLORO-2-(3,5-DIMETHOXYPHENYL)METHYLOXY]-3-[[1-[2-METHYLSULPHONYLAMINO]ETHYL]PIPERIDIN-4-YL]PROPAN-1-ONE HYDROCHLORIDE
【CAS】
【MDL】
MFCD09971033
【English Synonyms】
【Formula】
C26 H36 Cl N3 O6 S . Cl H
【MolWeight】
590.565
【Inchi】
InChI=1S/C26H36ClN3O6S.ClH/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33;/h12-16,18,29H,4-11,17,28H2,1-3H3;1H
【InChIKey】
InChIKey=QSMYZGMJSGUWPM-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1)OC)COc2cc(c(cc2C(=O)CCC3CCN(CC3)CCNS(=O)(=O)C)Cl)N.Cl
【MOL File】
1-[4-AMINO-5-CHLORO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[4-AMINO-5-CHLORO-2-(3,5-DIMETHOXYPHENYL)METHYLOXY]-3-[[1-[2-METHYLSULPHONYLAMINO]ETHYL]PIPERIDIN-4-YL]PROPAN-1-ONE HYDROCHLORIDE.cml