Tos-L-Tic

HCID 728536
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1
InChIKey
AIQIQJGSMJPTIG-INIZCTEOSA-N
Molecular formula
C17H17NO4S
Average molar mass
331.4 g/mol

Names & identifiers

Preferred name
Tos-L-Tic
IUPAC
(3S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Names & synonyms

Tos-L-TicAIQIQJGSMJPTIG-INIZCTEOSA-NAKOS005169963SR-01000481396SR-01000481396-1

Database identifiers

PubChem CID
728536

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

Related reactions

1 records
New reaction record

Compound notes

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