306959-04-6
ETHYL 2-METHYLSULFONYL-5-MORPHOLIN-4-YLPYRIMIDINE-4-CARBOXYLATE
NameETHYL 2-METHYLSULFONYL-5-MORPHOLIN-4-YLPYRIMIDINE-4-CARBOXYLATE
pro_formulaC12 H17 N3 O5 S
1Identification
【Name】
ETHYL 2-METHYLSULFONYL-5-MORPHOLIN-4-YLPYRIMIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD02696078
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H17 N3 O5 S
【pro_molWeight】
315.348
【Inchi】
InChI=1S/C12H17N3O5S/c1-3-20-11(16)10-9(15-4-6-19-7-5-15)8-13-12(14-10)21(2,17)18/h8H,3-7H2,1-2H3
【InChIKey】
InChIKey=HMSQMLNDFRYRKW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(cnc(n1)S(=O)(=O)C)N2CCOCC2
【MOL File】
ETHYL 2-METHYLSULFON….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2-METHYLSULFONYL-5-MORPHOLIN-4-YLPYRIMIDINE-4-CARBOXYLATE.cml