N-[(S)-1-Benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide hydrochloride

HCID 67005149
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Basic information

Standard SMILES
CCCCCc1ccc(CN(C(=O)C=Cc2ccc(C(F)(F)F)cc2)[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIKey
MAVSXEMXGQUNOS-UFUJWDBKSA-N
Molecular formula
C42H47ClF3N3O2
Average molar mass
718.3 g/mol
Monoisotopic mass
717.3308899

Names & identifiers

Preferred name
N-[(S)-1-Benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide hydrochloride
IUPAC
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;hydrochloride

Names & synonyms

N-[(S)-1-Benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide hydrochlorideSCHEMBL1360786

Database identifiers

PubChem CID
67005149

Properties

Computed structural properties

Topological polar surface area
43.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
14
Heavy atoms
51

Related reactions

1 records
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Compound notes

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