Basic information
- CAS
41837-57-4- Standard SMILES
CCc1nn2c(=O)cc(-c3ccccc3)nc2s1- InChIKey
WTJPLCZCNNXYPX-UHFFFAOYSA-N- Molecular formula
- C13H11N3OS
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.06228316
Names & identifiers
- Preferred name
- 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
- IUPAC
- 2-ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Names & synonyms
2-ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one41837-57-42-Ethyl-7-phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-oneSCHEMBL15274305DTXSID40347380WTJPLCZCNNXYPX-UHFFFAOYSA-N2-ethyl-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Database identifiers
- CAS
41837-57-4- PubChem CID
- 620883
- DTXSID
DTXSID40347380- Nikkaji
- J599.954E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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