[3-[[2-[4-(4-Cyano-2-fluorophenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] 4-prop-2-enoxycarbonyloxybutanoate

HCID 72452149
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Basic information

Standard SMILES
C=CCOC(=O)OCCCC(=O)OC(Cn1cncn1)(c1ccc(F)cc1F)C(C)SC1COC(C=CC=Cc2ccc(C#N)cc2F)OC1
InChIKey
DBVKHBGSZBSQDI-UHFFFAOYSA-N
Molecular formula
C35H35F3N4O7S
Average molar mass
712.7 g/mol
Monoisotopic mass
712.21785513

Names & identifiers

Preferred name
[3-[[2-[4-(4-Cyano-2-fluorophenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] 4-prop-2-enoxycarbonyloxybutanoate
IUPAC
[3-[[2-[4-(4-cyano-2-fluorophenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] 4-prop-2-enoxycarbonyloxybutanoate

Names & synonyms

SCHEMBL4683148

Database identifiers

PubChem CID
72452149

Properties

Computed structural properties

XLogP
6
Topological polar surface area
160 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
14
Rotatable bonds
19
Heavy atoms
50

Related reactions

1 records
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Compound notes

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