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CHEBI:121252 - 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol

ChEBI IDCHEBI:121252
ChEBI Name4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol
Stars
DownloadsMolfile
FormulaC25H31N7O2S
Net Charge0
Average Mass493.637
Monoisotopic Mass493.22599
SMILESCCC(C)(C)n1nnnc1C(c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C25H31N7O2S/c1-5-25(2,3)32-23(27-28-29-32)22(17-10-11-19(33)20(16-17)34-4)30-12-14-31(15-13-30)24-26-18-8-6-7-9-21(18)35-24/h6-11,16,22,33H,5,12-15H2,1-4H3
InChIKeyLLTDQJRCIJWYTM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol (CHEBI:121252) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-32695LINCS