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CHEBI:111364 - 1-(1-tert-butyl-5-tetrazolyl)-N-[(4-chlorophenyl)methyl]-N-(2-oxolanylmethyl)-1-thiophen-2-ylmethanamine

ChEBI IDCHEBI:111364
ChEBI Name1-(1-tert-butyl-5-tetrazolyl)-N-[(4-chlorophenyl)methyl]-N-(2-oxolanylmethyl)-1-thiophen-2-ylmethanamine
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FormulaC22H28ClN5OS
Net Charge0
Average Mass446.020
Monoisotopic Mass445.17031
SMILESCC(C)(C)n1nnnc1C(c1cccs1)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C22H28ClN5OS/c1-22(2,3)28-21(24-25-26-28)20(19-7-5-13-30-19)27(15-18-6-4-12-29-18)14-16-8-10-17(23)11-9-16/h5,7-11,13,18,20H,4,6,12,14-15H2,1-3H3
InChIKeyPKDQPZHGBXEAQY-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)
1-(1-tert-butyl-5-tetrazolyl)-N-[(4-chlorophenyl)methyl]-N-(2-oxolanylmethyl)-1-thiophen-2-ylmethanamine (CHEBI:111364) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-22820LINCS