DTXSID3034458
2-[N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
Molecular Identity
DTXSID3034458
2-[N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
PubChem CID: 136469009
2D Structure
Properties
C17H26ClNO3S
Molecular Formula
359.90
Molecular Weight
g/mol
359.1322
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
84.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
488
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
DTXSID3034458VolunteerSelectOgivePrism05SB62IB6FCHEBI:70721Trigger2-((1E)-N-(((2E)-3-chloro-2-propen-1-yl)oxy)propanimidoyl)-5-(2-(ethylsulfanyl)propyl)-3-hydroxy-2-cyclohexen-1-oneRefChem:577713DTXCID7014783122-(N-(((2E)-3-chloroprop-2-en-1-yl)oxy)propanimidoyl)-5-(2-(ethylsulfanyl)propyl)-3-hydroxycyclohex-2-en-1-one2-(N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl)-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-oneRE-45601619-396-7
Data from PubChem (NCBI)
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Drug Network
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