532938-55-9
5-CHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-CHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC20 H21 Cl N2 O4 S
1Identification
【Name】
5-CHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568571
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H21 Cl N2 O4 S
【pro_molWeight】
420.915
【Inchi】
InChI=1S/C20H21ClN2O4S/c1-11(2)14-6-4-12(3)8-17(14)27-10-18(24)23-20(28)22-16-7-5-13(21)9-15(16)19(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=UBQHMEBWNJADRP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl)C(C)C
【MOL File】
5-CHLORO-2-[[[[[5-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-CHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml