tert-butyl 4-{1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(4-fluorophenyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}piperidine-1-carboxylate

HCID 67258396
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Basic information

Standard SMILES
CCn1nnc(Cn2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3sc(-c4ccc(F)cc4)cc32)n1
InChIKey
PJAPXJHMTLAMHL-UHFFFAOYSA-N
Molecular formula
C26H30FN7O4S
Average molar mass
555.6 g/mol

Names & identifiers

Preferred name
tert-butyl 4-{1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(4-fluorophenyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}piperidine-1-carboxylate
IUPAC
tert-butyl 4-[1-[(2-ethyltetrazol-5-yl)methyl]-6-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL2042504PJAPXJHMTLAMHL-UHFFFAOYSA-Ntert-butyl 4-{1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(4-fluorophenyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}piperidine-1-carboxylate

Database identifiers

PubChem CID
67258396

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
142 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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