941879-41-0
5-THIAZOLECARBOXAMIDE, N-[2-(2-METHOXYPHENYL)ETHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
Name5-THIAZOLECARBOXAMIDE, N-[2-(2-METHOXYPHENYL)ETHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
pro_formulaC21 H23 N3 O4 S2
1Identification
【Name】
5-THIAZOLECARBOXAMIDE, N-[2-(2-METHOXYPHENYL)ETHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
【CAS】
【MDL】
MFCD09245619
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H23 N3 O4 S2
【pro_molWeight】
445.562
【Inchi】
InChI=1S/C21H23N3O4S2/c1-14-8-10-17(11-9-14)30(26,27)24-21-23-15(2)19(29-21)20(25)22-13-12-16-6-4-5-7-18(16)28-3/h4-11H,12-13H2,1-3H3,(H,22,25)(H,23,24)
【InChIKey】
InChIKey=KVLFISULVXJDDS-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)Nc2nc(c(s2)C(=O)NCCc3ccccc3OC)C
【MOL File】
5-THIAZOLECARBOXAMID….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-THIAZOLECARBOXAMIDE, N-[2-(2-METHOXYPHENYL)ETHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-.cml