tert-butyl N-[5-chloro-2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]carbamate

HCID 72390827
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(Cl)ccc1C=CC(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIKey
TUWBIYJVONKIHY-UHFFFAOYSA-N
Molecular formula
C25H29ClFN3O3
Average molar mass
474 g/mol
Monoisotopic mass
473.1881477

Names & identifiers

Preferred name
tert-butyl N-[5-chloro-2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]carbamate
IUPAC
tert-butyl N-[5-chloro-2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]carbamate

Database identifiers

PubChem CID
72390827

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

Related reactions

1 records
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Compound notes

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