955680-53-2
5-THIAZOLECARBOXAMIDE, N-[2-(4-CHLOROPHENYL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-
Name5-THIAZOLECARBOXAMIDE, N-[2-(4-CHLOROPHENYL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-
pro_formulaC21 H22 Cl N3 O3 S2
1Identification
【Name】
5-THIAZOLECARBOXAMIDE, N-[2-(4-CHLOROPHENYL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-
【CAS】
【MDL】
MFCD15528438
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H22 Cl N3 O3 S2
【pro_molWeight】
464.008
【Inchi】
InChI=1S/C21H22ClN3O3S2/c1-13-4-9-18(14(2)12-13)30(27,28)25-21-24-15(3)19(29-21)20(26)23-11-10-16-5-7-17(22)8-6-16/h4-9,12H,10-11H2,1-3H3,(H,23,26)(H,24,25)
【InChIKey】
InChIKey=VKMTZXJQTLGIMX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)S(=O)(=O)Nc2nc(c(s2)C(=O)NCCc3ccc(cc3)Cl)C
【MOL File】
5-THIAZOLECARBOXAMID….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-THIAZOLECARBOXAMIDE, N-[2-(4-CHLOROPHENYL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-.cml