89431-79-8
6-(4-(4-METHYLPHENYLSULFINYL)BUTOXY)-4,4-DIMETHYL-4H-3,1-BENZOXAZIN-2-ONE
Name6-(4-(4-METHYLPHENYLSULFINYL)BUTOXY)-4,4-DIMETHYL-4H-3,1-BENZOXAZIN-2-ONE
pro_formulaC21 H26 N2 O3 S
1Identification
【Name】
6-(4-(4-METHYLPHENYLSULFINYL)BUTOXY)-4,4-DIMETHYL-4H-3,1-BENZOXAZIN-2-ONE
【CAS】
【MDL】
MFCD01765723
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H26 N2 O3 S
【pro_molWeight】
386.513
【Inchi】
InChI=1S/C21H26N2O3S/c1-15-6-9-17(10-7-15)27(22)13-5-4-12-25-16-8-11-19-18(14-16)21(2,3)26-20(24)23-19/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,24)
【InChIKey】
InChIKey=UAIDLBRWKHHFPL-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=N)CCCCOc2ccc3c(c2)C(OC(=O)N3)(C)C
【MOL File】
6-(4-(4-METHYLPHENYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-(4-(4-METHYLPHENYLSULFINYL)BUTOXY)-4,4-DIMETHYL-4H-3,1-BENZOXAZIN-2-ONE.cml