761443-69-0
1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE
Name1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE
1Identification
【Name】
1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE
【CAS】
【MDL】
MFCD11053614
【English Synonyms】
【Formula】
C25 H34 N6 O5
【MolWeight】
498.581
【Inchi】
InChI=1S/C25H34N6O5/c1-6-35-24(34)31-20-16-30(23(33)36-25(2,3)4)15-19(20)21(27-31)26-22(32)17-7-9-18(10-8-17)29-13-11-28(5)12-14-29/h7-10H,6,11-16H2,1-5H3,(H,26,27,32)
【InChIKey】
InChIKey=YLYRHIITRIEACU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)n1c2c(c(n1)NC(=O)c3ccc(cc3)N4CCN(CC4)C)CN(C2)C(=O)OC(C)(C)C
【MOL File】
1-ETHYLOXYCARBONYL-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:11
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE.cml