31953-18-1
CIS-3-ACETOXY-5-[2-(DIMETHYLAMINO)ETHYL]-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE MONOHYDROCHLORIDE
NameCIS-3-ACETOXY-5-[2-(DIMETHYLAMINO)ETHYL]-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE MONOHYDROCHLORIDE
pro_formulaC22 H26 N2 O4 S . Cl H
1Identification
【Name】
CIS-3-ACETOXY-5-[2-(DIMETHYLAMINO)ETHYL]-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD00036709
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H26 N2 O4 S . Cl H
【pro_molWeight】
450.984
【Inchi】
InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H
【InChIKey】
InChIKey=HDRXZJPWHTXQRI-UHFFFAOYSA-N
【SMILES】
CC(=O)OC1C(Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC.Cl
【MOL File】
CIS-3-ACETOXY-5-[2-(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
CIS-3-ACETOXY-5-[2-(DIMETHYLAMINO)ETHYL]-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE MONOHYDROCHLORIDE.cml