Tert-butyl 4-[2-[(4-methylsulfonylphenyl)methoxy]pyrimidin-5-yl]piperazine-1-carboxylate

HCID 60155096
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cnc(OCc3ccc(S(C)(=O)=O)cc3)nc2)CC1
InChIKey
ZJBKMINXKKATNV-UHFFFAOYSA-N
Molecular formula
C21H28N4O5S
Average molar mass
448.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-[2-[(4-methylsulfonylphenyl)methoxy]pyrimidin-5-yl]piperazine-1-carboxylate
IUPAC
tert-butyl 4-[2-[(4-methylsulfonylphenyl)methoxy]pyrimidin-5-yl]piperazine-1-carboxylate

Names & synonyms

CHEMBL2086651BDBM50420829

Database identifiers

PubChem CID
60155096
ChEMBL
CHEMBL2086651

Properties

Computed structural properties

XLogP
2
Topological polar surface area
110 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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