943962-59-2
N-[2-[4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYL]-N-(2-PYRIDYL)-N-(4-TOSYLOXYMETHYLCYCLOHEXANE)CARBOXAMIDE
NameN-[2-[4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYL]-N-(2-PYRIDYL)-N-(4-TOSYLOXYMETHYLCYCLOHEXANE)CARBOXAMIDE
1Identification
【Name】
N-[2-[4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYL]-N-(2-PYRIDYL)-N-(4-TOSYLOXYMETHYLCYCLOHEXANE)CARBOXAMIDE
【CAS】
【MDL】
MFCD17018728
【English Synonyms】
【Formula】
C33 H42 N4 O5 S
【MolWeight】
606.784
【Inchi】
InChI=1S/C33H42N4O5S/c1-26-10-16-29(17-11-26)43(39,40)42-25-27-12-14-28(15-13-27)33(38)37(32-9-5-6-18-34-32)24-21-35-19-22-36(23-20-35)30-7-3-4-8-31(30)41-2/h3-11,16-18,27-28H,12-15,19-25H2,1-2H3
【InChIKey】
InChIKey=GHAWBFXGLGSLAB-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)OCC2CCC(CC2)C(=O)N(CCN3CCN(CC3)c4ccccc4OC)c5ccccn5
【MOL File】
N-[2-[4-(2-METHOXYPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[2-[4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYL]-N-(2-PYRIDYL)-N-(4-TOSYLOXYMETHYLCYCLOHEXANE)CARBOXAMIDE.cml