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
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
【English Synonyms】
【Formula】
C19 H25 N3 O4 S . 2 Cl H
【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
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-4-(ISOQUINOLINE-5-SULFONYL)-3-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE.cml