936233-10-2
(R)-4-(ISOQUINOLINE-5-SULFONYL)-3-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE
Name(R)-4-(ISOQUINOLINE-5-SULFONYL)-3-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE
pro_formulaC19 H25 N3 O4 S . 2 Cl H
1Identification
【Name】
(R)-4-(ISOQUINOLINE-5-SULFONYL)-3-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD09834613
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H25 N3 O4 S . 2 Cl H
【pro_molWeight】
464.411
【Inchi】
InChI=1S/C19H25N3O4S.2ClH/c1-14-13-21(18(23)26-19(2,3)4)10-11-22(14)27(24,25)17-7-5-6-15-12-20-9-8-16(15)17;;/h5-9,12,14H,10-11,13H2,1-4H3;2*1H/t14-;;/m1../s1
【InChIKey】
InChIKey=OZNKATBHHGHPPA-FMOMHUKBSA-N
【SMILES】
C[C@@H]1CN(CCN1S(=O)(=O)c2cccc3c2ccnc3)C(=O)OC(C)(C)C.Cl.Cl
【MOL File】
(R)-4-(ISOQUINOLINE-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(R)-4-(ISOQUINOLINE-5-SULFONYL)-3-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE.cml