955677-92-6
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE
Name2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE
pro_formulaC21 H23 N3 O3 S2
1Identification
【Name】
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE
【CAS】
【MDL】
MFCD15528399
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H23 N3 O3 S2
【pro_molWeight】
429.563
【Inchi】
InChI=1S/C21H23N3O3S2/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/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24)
【InChIKey】
InChIKey=DDCPDAUBHKCQSO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)S(=O)(=O)Nc2nc(c(s2)C(=O)NCCc3ccccc3)C
【MOL File】
2-[[(2,4-DIMETHYLPHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-(2-PHENYLETHYL)-5-THIAZOLECARBOXAMIDE.cml