532407-52-6
3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C20 H15 Br N2 O4 S
MolWeight
459.319
1Identification
【Name】
3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03567748
【English Synonyms】
【Formula】
C20 H15 Br N2 O4 S
【MolWeight】
459.319
【Inchi】
InChI=1S/C20H15BrN2O4S/c1-11-14(19(25)26)3-2-4-15(11)22-20(28)23-18(24)17-10-9-16(27-17)12-5-7-13(21)8-6-12/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=OPTOFPDMGMPAAN-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2ccc(o2)c3ccc(cc3)Br)C(=O)O
【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
3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml
Quick Release
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Catalog No:U83659 nullnull
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