400076-27-9
ETHYL 4-(4-METHYLPIPERAZINO)-2-PHENYL-5-PYRIMIDINECARBOXYLATE
NameETHYL 4-(4-METHYLPIPERAZINO)-2-PHENYL-5-PYRIMIDINECARBOXYLATE
1Identification
【Name】
ETHYL 4-(4-METHYLPIPERAZINO)-2-PHENYL-5-PYRIMIDINECARBOXYLATE
【CAS】
【MDL】
MFCD02185888
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H22 N4 O2
【pro_molWeight】
326.398
【Inchi】
InChI=1S/C18H22N4O2/c1-3-24-18(23)15-13-19-16(14-7-5-4-6-8-14)20-17(15)22-11-9-21(2)10-12-22/h4-8,13H,3,9-12H2,1-2H3
【InChIKey】
InChIKey=ZMJCULJIAPVWEC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1N2CCN(CC2)C)c3ccccc3
【MOL File】
ETHYL 4-(4-METHYLPIP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 4-(4-METHYLPIPERAZINO)-2-PHENYL-5-PYRIMIDINECARBOXYLATE.cml