Basic information
- CAS
609794-97-0- Standard SMILES
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2C1c1ccc(C(=O)OC)cc1- InChIKey
TTXYQAFFKFBQMO-HMAPJEAMSA-N- Molecular formula
- C28H21ClN2O6S
- Average molar mass
- 549 g/mol
- Monoisotopic mass
- 548.0808853
Names & identifiers
- Preferred name
- Methyl (2Z)-2-{[5-(4-chlorophenyl)-2-furyl]methylene}-5-[4-(methoxycarbonyl)phe nyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carb oxylate
- IUPAC
- methyl (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
609794-97-0METHYL (2Z)-2-((5-(4-CHLOROPHENYL)-2-FURYL)METHYLENE)-5-(4-(METHOXYCARBONYL)PHE NYL)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARB OXYLATEMethyl (2Z)-2-{[5-(4-chlorophenyl)-2-furyl]methylene}-5-[4-(methoxycarbonyl)phe nyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carb oxylateRefChem:812219645-811-6Methyl 2-((5-(4-chlorophenyl)furan-2-yl)methylene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateSTK813072AKOS002169877AKOS016067698methyl (2Z)-2-{[5-(4-chlorophenyl)-2-furyl]methylene}-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylatemethyl (2Z)-2-{[5-(4-chlorophenyl)furan-2-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
609794-97-0- PubChem CID
- 5927770
- EC Number
- 645-811-6
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,060
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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