535948-61-9
4-CHLORO-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-CHLORO-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H21 Cl N2 O4 S
MolWeight
420.915
1Identification
【Name】
4-CHLORO-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572075
【English Synonyms】
【Formula】
C20 H21 Cl N2 O4 S
【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)22-16-9-13(19(25)26)5-7-15(16)21/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=HUJCAODNILDOLM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O)C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U80293 nullnull
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