Tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]-3-pyridinyl]piperazine-1-carboxylate

HCID 60155100
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)nc2)CC1
InChIKey
CBNFLBDZRCZIJJ-UHFFFAOYSA-N
Molecular formula
C22H29N3O5S
Average molar mass
447.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]-3-pyridinyl]piperazine-1-carboxylate
IUPAC
tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]-3-pyridinyl]piperazine-1-carboxylate

Names & synonyms

CHEMBL2086655BDBM50420875

Database identifiers

PubChem CID
60155100
ChEMBL
CHEMBL2086655

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
97.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
31

Experimental & physicochemical properties

LogP3.1

Related reactions

1 records
New reaction record

Linked notes

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