Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOC(C(=O)O)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Cl- InChIKey
PPGMGFIEJFPEII-UHFFFAOYSA-N- Molecular formula
- C22H22ClFN4O5S
- Average molar mass
- 509 g/mol
Names & identifiers
- Preferred name
- 4-((6-(2-Chloro-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-2-carboxylic acid
- IUPAC
- 4-[[4-(2-chloro-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-2-carboxylic acid
Names & synonyms
SCHEMBL15572781PPGMGFIEJFPEII-UHFFFAOYSA-N4-((6-(2-chloro-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-2-carboxylic acid
Database identifiers
- PubChem CID
- 73296129
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 846
Related reactions
1 records
Compound notes
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