1188065-93-1
3-(3,4-DIMETHOXYPHENYL)-5-[4-(METHYLSULFONYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
Name3-(3,4-DIMETHOXYPHENYL)-5-[4-(METHYLSULFONYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
pro_formulaC21 H21 N O7 S
1Identification
【Name】
3-(3,4-DIMETHOXYPHENYL)-5-[4-(METHYLSULFONYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD17185422
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H21 N O7 S
【pro_molWeight】
431.463
【Inchi】
InChI=1S/C21H21NO7S/c1-5-28-21(23)18-19(14-8-11-16(26-2)17(12-14)27-3)22-29-20(18)13-6-9-15(10-7-13)30(4,24)25/h6-12H,5H2,1-4H3
【InChIKey】
InChIKey=MNRULDAJATVNOU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(noc1c2ccc(cc2)S(=O)(=O)C)c3ccc(c(c3)OC)OC
【MOL File】
3-(3,4-DIMETHOXYPHEN….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(3,4-DIMETHOXYPHENYL)-5-[4-(METHYLSULFONYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER.cml