Basic information
- CAS
91119-03-8- Standard SMILES
O=c1[nH]sc2nc(-c3ccccc3)nc(-c3ccccc3)c12- InChIKey
BMLUHXFONVJOLY-UHFFFAOYSA-N- Molecular formula
- C17H11N3OS
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.06228316
Names & identifiers
- Preferred name
- 4,6-Diphenyl[1,2]thiazolo[5,4-d]pyrimidin-3(2H)-one
- IUPAC
- 4,6-diphenyl-[1,2]thiazolo[5,4-d]pyrimidin-3-one
Names & synonyms
91119-03-84,6-Diphenylisothiazolo[5,4-d]pyrimidin-3(2H)-one4,6-Diphenyl[1,2]thiazolo[5,4-d]pyrimidin-3(2H)-oneDTXSID60524176
Database identifiers
- CAS
91119-03-8- PubChem CID
- 13166136
- DTXSID
DTXSID60524176
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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