941925-57-1
5-THIAZOLECARBOXAMIDE, N-1,3-BENZODIOXOL-5-YL-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
Name5-THIAZOLECARBOXAMIDE, N-1,3-BENZODIOXOL-5-YL-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
pro_formulaC19 H17 N3 O5 S2
1Identification
【Name】
5-THIAZOLECARBOXAMIDE, N-1,3-BENZODIOXOL-5-YL-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
【CAS】
【MDL】
MFCD09245621
【EnglishSynonyms】
【pro_formula】
C19 H17 N3 O5 S2
【pro_molWeight】
431.491
【Inchi】
InChI=1S/C19H17N3O5S2/c1-11-3-6-14(7-4-11)29(24,25)22-19-20-12(2)17(28-19)18(23)21-13-5-8-15-16(9-13)27-10-26-15/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
【InChIKey】
InChIKey=WHUGVZKRNNODKC-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)Nc2nc(c(s2)C(=O)Nc3ccc4c(c3)OCO4)C
【MOL File】
5-THIAZOLECARBOXAMID….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:8
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-THIAZOLECARBOXAMIDE, N-1,3-BENZODIOXOL-5-YL-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-.cml