565192-24-7
[6-(4-CHLORO-PHENYL)-2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL]-ACETIC ACID
Name[6-(4-CHLORO-PHENYL)-2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL]-ACETIC ACID
FormulaC17 H13 Cl N2 O2 S2
1Identification
【Name】
[6-(4-CHLORO-PHENYL)-2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL]-ACETIC ACID
【CAS】
【MDL】
MFCD03965259
【English Synonyms】
【Formula】
C17 H13 Cl N2 O2 S2
【MolWeight】
376.887
【Inchi】
InChI=1S/C17H13ClN2O2S2/c18-10-6-4-9(5-7-10)15-19-16(23-8-13(21)22)14-11-2-1-3-12(11)24-17(14)20-15/h4-7H,1-3,8H2,(H,21,22)
【InChIKey】
InChIKey=BAVKVEHMBFINGY-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2nc3c(c4c(s3)CCC4)c(n2)SCC(=O)O)Cl
【MOL File】
[6-(4-CHLORO-PHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[6-(4-CHLORO-PHENYL)-2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL]-ACETIC ACID.cml