Basic information
- CAS
618091-24-0- Standard SMILES
CCCCOc1ccc(C2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Cl)cc4Cl)c(=O)n32)cc1- InChIKey
ZXGBZLTXHNWIAL-UHFFFAOYSA-N- Molecular formula
- C28H28Cl2N2O4S
- Average molar mass
- 559.5 g/mol
- Monoisotopic mass
- 558.1146839
Names & identifiers
- Preferred name
- 1-Methylethyl 5-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- propan-2-yl 5-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID2011016791-Methylethyl 5-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate618091-24-0
Database identifiers
- CAS
618091-24-0- PubChem CID
- 4472915
- DTXSID
DTXSID201101679
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 958
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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