Basic information
- CAS
6998-03-4- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2C1c1ccc(C(=O)OC)cc1- InChIKey
ZTEKNRVUSZVQPI-UHFFFAOYSA-N- Molecular formula
- C34H27ClN4O5S
- Average molar mass
- 639.1 g/mol
- Monoisotopic mass
- 638.1390688
Names & identifiers
- Preferred name
- ethyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
6998-03-4ethyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateDTXSID10410070Ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
6998-03-4- PubChem CID
- 5208917
- DTXSID
DTXSID10410070
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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