926249-31-2
4-[(4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PROPAN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-[(4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PROPAN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC16 H17 F N2 O2 S
1Identification
【Name】
4-[(4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PROPAN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09042669
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H17 F N2 O2 S
【pro_molWeight】
320.386
【Inchi】
InChI=1S/C16H17FN2O2S/c1-9(2)14-18-10(3)13(16(20)21)15(19-14)22-8-11-4-6-12(17)7-5-11/h4-7,9H,8H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=GNNXYPYHTBHDDH-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)C(C)C)SCc2ccc(cc2)F)C(=O)O
【MOL File】
4-[(4-FLUOROPHENYL)M….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[(4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PROPAN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID.cml