86135-92-4
BENZOTHIAZOLE, 2,3-DIHYDRO-3-ACETYL-2-(5-METHOXY-2-(4-(4-(2-(3,4,5-TRI METHOXYPHENYL)ETHYL)-1-PIPERAZINYL)BUTOXY)PHENYL)-, DIHYDROCHLORIDE
NameBENZOTHIAZOLE, 2,3-DIHYDRO-3-ACETYL-2-(5-METHOXY-2-(4-(4-(2-(3,4,5-TRI METHOXYPHENYL)ETHYL)-1-PIPERAZINYL)BUTOXY)PHENYL)-, DIHYDROCHLORIDE
pro_formulaC35 H45 N3 O6 S . 2 Cl H
1Identification
【Name】
BENZOTHIAZOLE, 2,3-DIHYDRO-3-ACETYL-2-(5-METHOXY-2-(4-(4-(2-(3,4,5-TRI METHOXYPHENYL)ETHYL)-1-PIPERAZINYL)BUTOXY)PHENYL)-, DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01762941
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C35 H45 N3 O6 S . 2 Cl H
【pro_molWeight】
708.743
【Inchi】
InChI=1S/C35H45N3O6S.2ClH/c1-25(39)38-29-10-6-7-11-33(29)45-35(38)28-24-27(40-2)12-13-30(28)44-21-9-8-15-36-17-19-37(20-18-36)16-14-26-22-31(41-3)34(43-5)32(23-26)42-4;;/h6-7,10-13,22-24,35H,8-9,14-21H2,1-5H3;2*1H
【InChIKey】
InChIKey=BJNRJLYPCSQXIT-UHFFFAOYSA-N
【SMILES】
CC(=O)N1c2ccccc2SC1c3cc(ccc3OCCCCN4CCN(CC4)CCc5cc(c(c(c5)OC)OC)OC)OC.Cl.Cl
【MOL File】
BENZOTHIAZOLE, 2,3-D….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZOTHIAZOLE, 2,3-DIHYDRO-3-ACETYL-2-(5-METHOXY-2-(4-(4-(2-(3,4,5-TRI METHOXYPHENYL)ETHYL)-1-PIPERAZINYL)BUTOXY)PHENYL)-, DIHYDROCHLORIDE.cml