532389-58-5
4-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H22 N2 O4 S
MolWeight
386.47
1Identification
【Name】
4-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569603
【English Synonyms】
【Formula】
C20 H22 N2 O4 S
【MolWeight】
386.47
【Inchi】
InChI=1S/C20H22N2O4S/c1-12(2)16-9-4-13(3)10-17(16)26-11-18(23)22-20(27)21-15-7-5-14(6-8-15)19(24)25/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=PLXOUVIDZPEUFD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2ccc(cc2)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-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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