129229-95-4
CARBAMIC ACID, (3,4,5-TRIMETHOXYPHENYL)-, (1,4-BIS(3,4,5-TRIMETHOXYBEN ZOYL)-2-PIPERAZINYL)METHYL ESTER
NameCARBAMIC ACID, (3,4,5-TRIMETHOXYPHENYL)-, (1,4-BIS(3,4,5-TRIMETHOXYBEN ZOYL)-2-PIPERAZINYL)METHYL ESTER
pro_formulaC35 H43 N3 O13
1Identification
【Name】
CARBAMIC ACID, (3,4,5-TRIMETHOXYPHENYL)-, (1,4-BIS(3,4,5-TRIMETHOXYBEN ZOYL)-2-PIPERAZINYL)METHYL ESTER
【CAS】
【MDL】
MFCD01937704
【EnglishSynonyms】
【pro_formula】
C35 H43 N3 O13
【pro_molWeight】
713.733
【Inchi】
InChI=1S/C35H43N3O13/c1-42-24-12-20(13-25(43-2)30(24)48-7)33(39)37-10-11-38(34(40)21-14-26(44-3)31(49-8)27(15-21)45-4)23(18-37)19-51-35(41)36-22-16-28(46-5)32(50-9)29(17-22)47-6/h12-17,23H,10-11,18-19H2,1-9H3,(H,36,41)
【InChIKey】
InChIKey=WKNNLSGOPCKNBX-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)C(=O)N2CCN(C(C2)COC(=O)Nc3cc(c(c(c3)OC)OC)OC)C(=O)c4cc(c(c(c4)OC)OC)OC
【MOL File】
CARBAMIC ACID, (3,4,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:16
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
CARBAMIC ACID, (3,4,5-TRIMETHOXYPHENYL)-, (1,4-BIS(3,4,5-TRIMETHOXYBEN ZOYL)-2-PIPERAZINYL)METHYL ESTER.cml