Basic information
- CAS
33360-28-0- Standard SMILES
c1ccc(CSc2ncnc3oc(-c4ccccc4)nc23)cc1- InChIKey
JHUDPTSCIHFIDO-UHFFFAOYSA-N- Molecular formula
- C18H13N3OS
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.07793322
Names & identifiers
- Preferred name
- 7-(Benzylsulfanyl)-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine
- IUPAC
- 7-benzylsulfanyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
Names & synonyms
33360-28-07-(benzylsulfanyl)-2-phenyl[1,3]oxazolo[5,4-d]pyrimidineNSC137484DTXSID60300538Oxazolo[5,4-d]pyrimidine,2-phenyl-7-[(phenylmethyl)thio]-NSC-137484DS-000803
Database identifiers
- CAS
33360-28-0- PubChem CID
- 283172
- DTXSID
DTXSID60300538
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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