Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOCC2C(=O)OCOC(=O)C(C)(C)C)NC(c2nccs2)=NC1c1ccc(Cl)cc1Cl- InChIKey
FQSJWPSVNHCNAG-UHFFFAOYSA-N- Molecular formula
- C28H32Cl2N4O7S
- Average molar mass
- 639.5 g/mol
- Monoisotopic mass
- 638.1368759
Names & identifiers
- Preferred name
- (Pivaloyloxy)methyl 4-((6-(2,4-dichlorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylate
- IUPAC
- 2,2-dimethylpropanoyloxymethyl 4-[[4-(2,4-dichlorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylate
Names & synonyms
SCHEMBL15574077FQSJWPSVNHCNAG-UHFFFAOYSA-N(Pivaloyloxy)methyl 4-((6-(2,4-dichlorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylate
Database identifiers
- PubChem CID
- 90044007
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
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