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

HCID 72390833
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Basic information

Standard SMILES
CC1CN(Cc2ccc(F)cc2)CCN1C(=O)C=Cc1cc(Cl)ccc1NC(=O)OC(C)(C)C
InChIKey
JFIKPFDJKICVRF-UHFFFAOYSA-N
Molecular formula
C26H31ClFN3O3
Average molar mass
488 g/mol
Monoisotopic mass
487.2037977

Names & identifiers

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

Database identifiers

PubChem CID
72390833

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
34

Related reactions

1 records
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Compound notes

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