129477-62-9
1,4-BIS(3,4,5-TRIMETHOXYBENZOYL)-N-(PHENYLMETHYL)-2-PIPERAZINECARBOXAM IDE
Name1,4-BIS(3,4,5-TRIMETHOXYBENZOYL)-N-(PHENYLMETHYL)-2-PIPERAZINECARBOXAM IDE
1Identification
【Name】
1,4-BIS(3,4,5-TRIMETHOXYBENZOYL)-N-(PHENYLMETHYL)-2-PIPERAZINECARBOXAM IDE
【CAS】
【MDL】
MFCD00891340
【English Synonyms】
【Formula】
C32 H37 N3 O9
【MolWeight】
607.656
【Inchi】
InChI=1S/C32H37N3O9/c1-39-24-14-21(15-25(40-2)28(24)43-5)31(37)34-12-13-35(23(19-34)30(36)33-18-20-10-8-7-9-11-20)32(38)22-16-26(41-3)29(44-6)27(17-22)42-4/h7-11,14-17,23H,12-13,18-19H2,1-6H3,(H,33,36)
【InChIKey】
InChIKey=HRVNKVXEICFVIB-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)C(=O)N2CCN(C(C2)C(=O)NCc3ccccc3)C(=O)c4cc(c(c(c4)OC)OC)OC
【MOL File】
1,4-BIS(3,4,5-TRIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-BIS(3,4,5-TRIMETHOXYBENZOYL)-N-(PHENYLMETHYL)-2-PIPERAZINECARBOXAM IDE.cml