Wx-671
ethyl 4-[(2S)-3-[3-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
Molecular Identity
Wx-671
ethyl 4-[(2S)-3-[3-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
PubChem CID: 56843330
2D Structure
Properties
C32H47N5O6S
Molecular Formula
629.80
Molecular Weight
g/mol
629.3247
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
149
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC(=CC=C2)C=NNO)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)CIsomeric SMILES
SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)/C=N/NO)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)CSynonyms(9)
WX 671RefChem:934262590368-25-5Wx-671GTPL6497QYA36825DA-59162Q270890961-Piperazinecarboxylic acid, 4-((2S)-3-(3- ((hydroxyamino)iminomethyl)phenyl)-1-oxo-2-(((2,4,6-tris(1-methylethyl)phenyl)sulfonyl)amino)propyl)-, ethyl ester
Data from PubChem (NCBI)
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