76059-14-8
3-(2-(1,3-DIOXO-2-PHENYL-4,5,6,7-TETRAHYDRO-4,7-DITHIAINDANYL))GLUTARI MIDE
Name3-(2-(1,3-DIOXO-2-PHENYL-4,5,6,7-TETRAHYDRO-4,7-DITHIAINDANYL))GLUTARI MIDE
pro_formulaC18 H15 N O4 S2
1Identification
【Name】
3-(2-(1,3-DIOXO-2-PHENYL-4,5,6,7-TETRAHYDRO-4,7-DITHIAINDANYL))GLUTARI MIDE
【CAS】
【MDL】
MFCD01725103
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H15 N O4 S2
【pro_molWeight】
373.452
【Inchi】
InChI=1S/C18H15NO4S2/c20-12-8-11(9-13(21)19-12)18(10-4-2-1-3-5-10)16(22)14-15(17(18)23)25-7-6-24-14/h1-5,11H,6-9H2,(H,19,20,21)
【InChIKey】
InChIKey=FERWENDIFTZUMU-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2(C(=O)C3=C(C2=O)SCCS3)C4CC(=O)NC(=O)C4
【MOL File】
3-(2-(1,3-DIOXO-2-PH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(2-(1,3-DIOXO-2-PHENYL-4,5,6,7-TETRAHYDRO-4,7-DITHIAINDANYL))GLUTARI MIDE.cml