477854-50-5
ETHYL 2-PHENYL-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
NameETHYL 2-PHENYL-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
pro_formulaC19 H16 N2 O2 S
1Identification
【Name】
ETHYL 2-PHENYL-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
【CAS】
【MDL】
MFCD02083171
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H16 N2 O2 S
【pro_molWeight】
336.413
【Inchi】
InChI=1S/C19H16N2O2S/c1-2-23-19(22)16-13-20-17(14-9-5-3-6-10-14)21-18(16)24-15-11-7-4-8-12-15/h3-13H,2H2,1H3
【InChIKey】
InChIKey=UOKBQRHASFNSSP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1Sc2ccccc2)c3ccccc3
【MOL File】
ETHYL 2-PHENYL-4-(PH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2-PHENYL-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE.cml