955677-62-0
5-THIAZOLECARBOXAMIDE, N-[2-(1-CYCLOHEXEN-1-YL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-
Name5-THIAZOLECARBOXAMIDE, N-[2-(1-CYCLOHEXEN-1-YL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-
pro_formulaC21 H27 N3 O3 S2
1Identification
【Name】
5-THIAZOLECARBOXAMIDE, N-[2-(1-CYCLOHEXEN-1-YL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-
【CAS】
【MDL】
MFCD15528395
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H27 N3 O3 S2
【pro_molWeight】
433.594
【Inchi】
InChI=1S/C21H27N3O3S2/c1-14-9-10-18(15(2)13-14)29(26,27)24-21-23-16(3)19(28-21)20(25)22-12-11-17-7-5-4-6-8-17/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,22,25)(H,23,24)
【InChIKey】
InChIKey=ADQDMMUNUFLIQS-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)S(=O)(=O)Nc2nc(c(s2)C(=O)NCCC3=CCCCC3)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-(1-CYCLOHEXEN-1-YL)ETHYL]-2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-.cml