885276-84-6
[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-(1H-INDOL-2-YL)-ACETIC ACID
Name[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-(1H-INDOL-2-YL)-ACETIC ACID
1Identification
【Name】
[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-(1H-INDOL-2-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD04115202
【English Synonyms】
【Formula】
C20 H20 F N3 O2
【MolWeight】
353.395
【Inchi】
InChI=1S/C20H20FN3O2/c21-15-5-7-16(8-6-15)23-9-11-24(12-10-23)19(20(25)26)18-13-14-3-1-2-4-17(14)22-18/h1-8,13,19,22H,9-12H2,(H,25,26)
【InChIKey】
InChIKey=KNZZXWYUBWGYQQ-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cc([nH]2)C(C(=O)O)N3CCN(CC3)c4ccc(cc4)F
【MOL File】
[4-(4-FLUORO-PHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-(1H-INDOL-2-YL)-ACETIC ACID.cml