890028-66-7
N-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-5-[(1E)-3-OXO-1-PROPEN-1-YL]-2-PYRIMIDINYL]-N-METHYLMETHANESULFONAMIDE
NameN-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-5-[(1E)-3-OXO-1-PROPEN-1-YL]-2-PYRIMIDINYL]-N-METHYLMETHANESULFONAMIDE
pro_formulaC18 H20 F N3 O3 S
1Identification
【Name】
N-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-5-[(1E)-3-OXO-1-PROPEN-1-YL]-2-PYRIMIDINYL]-N-METHYLMETHANESULFONAMIDE
【CAS】
【MDL】
MFCD17169994
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 F N3 O3 S
【pro_molWeight】
377.438
【Inchi】
InChI=1S/C18H20FN3O3S/c1-12(2)16-15(6-5-11-23)17(13-7-9-14(19)10-8-13)21-18(20-16)22(3)26(4,24)25/h5-12H,1-4H3/b6-5+
【InChIKey】
InChIKey=ZPOOWKOQKFRKJB-AATRIKPKSA-N
【SMILES】
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C=O
【MOL File】
N-[4-(4-FLUOROPHENYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-5-[(1E)-3-OXO-1-PROPEN-1-YL]-2-PYRIMIDINYL]-N-METHYLMETHANESULFONAMIDE.cml