1-{[3-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-ethylphenyl]methyl}-3 azetidinecarboxylic acid

HCID 54579592
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Basic information

Standard SMILES
CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C#N)c2)n1
InChIKey
QVJUTJMLIIINQI-UHFFFAOYSA-N
Molecular formula
C25H26N4O3S
Average molar mass
462.6 g/mol

Names & identifiers

Preferred name
1-{[3-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-ethylphenyl]methyl}-3 azetidinecarboxylic acid
IUPAC
1-[[3-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-thiadiazol-3-yl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid

Names & synonyms

SCHEMBL1293079QVJUTJMLIIINQI-UHFFFAOYSA-N1-{[3-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-ethylphenyl]methyl}-3 azetidinecarboxylic acid

Database identifiers

PubChem CID
54579592

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
128 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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