85462-87-9
BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-(3-((1,1-DIM ETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, HYDROCHLORIDE
NameBENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-(3-((1,1-DIM ETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, HYDROCHLORIDE
pro_formulaC16 H25 N O4 S . Cl H
1Identification
【Name】
BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-(3-((1,1-DIM ETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, HYDROCHLORIDE
【CAS】
【MDL】
MFCD01663474
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H25 N O4 S . Cl H
【pro_molWeight】
363.903
【Inchi】
InChI=1S/C16H25NO4S.ClH/c1-16(2,3)17-8-10(18)9-21-13-11-6-4-5-7-12(11)22-14(13)15(19)20;/h10,17-18H,4-9H2,1-3H3,(H,19,20);1H
【InChIKey】
InChIKey=NOEXDXFXHVEDNU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)NCC(COc1c2c(sc1C(=O)O)CCCC2)O.Cl
【MOL File】
BENZO(B)THIOPHENE-2-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-(3-((1,1-DIM ETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, HYDROCHLORIDE.cml