[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] imidazole-1-carboxylate

HCID 72452152
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(SC1COC(C=CC=Cc2ccc(C#N)cc2F)OC1)C(Cn1cncn1)(OC(=O)n1ccnc1)c1ccc(F)cc1F
InChIKey
YCJXMMWPUKLPEC-UHFFFAOYSA-N
Molecular formula
C31H27F3N6O4S
Average molar mass
636.6 g/mol
Monoisotopic mass
636.17665902

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] imidazole-1-carboxylate
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] imidazole-1-carboxylate

Names & synonyms

SCHEMBL4680051

Database identifiers

PubChem CID
72452152

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
142 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
11
Heavy atoms
45

Related reactions

1 records
New reaction record

Compound notes

Loading…