4-((6-(2-Bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylic acid

HCID 73296292
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Basic information

Standard SMILES
CCOC(=O)C1=C(CN2CCOCC2C(=O)O)NC(c2nnc(C)s2)=NC1c1ccc(F)cc1Br
InChIKey
LTOQXZDERBOSQF-UHFFFAOYSA-N
Molecular formula
C22H23BrFN5O5S
Average molar mass
568.4 g/mol

Names & identifiers

Preferred name
4-((6-(2-Bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylic acid
IUPAC
4-[[4-(2-bromo-4-fluorophenyl)-5-ethoxycarbonyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid

Names & synonyms

SCHEMBL15573335LTOQXZDERBOSQF-UHFFFAOYSA-N4-((6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylic acid

Database identifiers

PubChem CID
73296292

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
35

Related reactions

1 records
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Compound notes

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