926199-41-9
2-(4-FLUOROPHENYL)-4-METHYL-6-(3-METHYLBUTYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID
Name2-(4-FLUOROPHENYL)-4-METHYL-6-(3-METHYLBUTYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC17 H19 F N2 O2 S
1Identification
【Name】
2-(4-FLUOROPHENYL)-4-METHYL-6-(3-METHYLBUTYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09043209
【EnglishSynonyms】
【pro_formula】
C17 H19 F N2 O2 S
【pro_molWeight】
334.413
【Inchi】
InChI=1S/C17H19FN2O2S/c1-10(2)8-9-23-16-14(17(21)22)11(3)19-15(20-16)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,21,22)
【InChIKey】
InChIKey=UBPOGZUWROGFCF-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2ccc(cc2)F)SCCC(C)C)C(=O)O
【MOL File】
2-(4-FLUOROPHENYL)-4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(4-FLUOROPHENYL)-4-METHYL-6-(3-METHYLBUTYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID.cml