1-[[5-[[4-(N'-benzoylcarbamimidoyl)anilino]-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxy]propyl cyclohexyl carbonate

HCID 76166166
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(OC(=O)OC1CCCCC1)Oc1nc(C(Nc2ccc(C(N)=NC(=O)c3ccccc3)cc2)c2cc(OC)cc(OCCO)c2F)nn1-c1ncccn1
InChIKey
GDTPLDFJAVJGDW-UHFFFAOYSA-N
Molecular formula
C40H43FN8O8
Average molar mass
782.8 g/mol

Names & identifiers

Preferred name
1-[[5-[[4-(N'-benzoylcarbamimidoyl)anilino]-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxy]propyl cyclohexyl carbonate
IUPAC
1-[[5-[[4-(N'-benzoylcarbamimidoyl)anilino]-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxy]propyl cyclohexyl carbonate

Database identifiers

PubChem CID
76166166

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
207 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
14
Rotatable bonds
18
Heavy atoms
57

Related reactions

1 records
New reaction record

Linked notes

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