Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate
Basic information
- CAS
68787-54-2- Standard SMILES
CCOC(=O)c1cc(=O)nc2sc(-c3ccccc3)nn12- InChIKey
IMZFEYDQJOBCBU-UHFFFAOYSA-N- Molecular formula
- C14H11N3O3S
- Average molar mass
- 301.32 g/mol
- Monoisotopic mass
- 301.05211239
Names & identifiers
- Preferred name
- Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylate
- IUPAC
- ethyl 7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
Names & synonyms
Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo[3,2-a]pyrimidine-5-carboxylate68787-54-2Ethyl 7-oxo-2-phenyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5-carboxylateRefChem:344662SCHEMBL11470874IMZFEYDQJOBCBU-UHFFFAOYSA-NDTXSID601149281Ethyl 7-oxo-2-phenyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
Database identifiers
- CAS
68787-54-2- PubChem CID
- 627263
- DTXSID
DTXSID601149281
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 562
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Compound notes
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