Ulonivirine
3-chloro-5-[6-oxo-1-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile
Molecular Identity
Ulonivirine
3-chloro-5-[6-oxo-1-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile
PubChem CID: 73505111
2D Structure
Properties
C18H8ClF6N5O3
Molecular Formula
491.70
Molecular Weight
g/mol
491.0220
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
12
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C=C(C=C1OC2=C(N=CN(C2=O)CC3=NNC(=O)C(=C3)C(F)(F)F)C(F)(F)F)Cl)C#NIsomeric SMILES
SMILES: C1=C(C=C(C=C1OC2=C(N=CN(C2=O)CC3=NNC(=O)C(=C3)C(F)(F)F)C(F)(F)F)Cl)C#NSynonyms(20)
Ulonivirine1591823-76-5MK-85074NS011EGKZMK8507Mk 85073-chloro-5-[6-oxo-1-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-5-yl]oxy-benzonitrile3-chloro-5-(6-oxo-1-((6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl)methyl)-4-(trifluoromethyl)pyrimidin-5-yl)oxy-benzonitrileRefChem:1930163-chloro-5-((6-oxo-1-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-3-yl)methyl)-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrileUNII-4NS011EGKZWHO 12037Benzonitrile, 3-chloro-5-((1-((1,6-dihydro-6-oxo-5-(trifluoromethyl)-3-pyridazinyl)methyl)-1,6-dihydro-6-oxo-4-(trifluoromethyl)-5-pyrimidinyl)oxy)-3-chloro-5-[6-oxo-1-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrileUlonivirina
Data from PubChem (NCBI)
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