4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-4-one, 2-phenyl-
Basic information
- CAS
159852-72-9- Standard SMILES
O=c1c2cc(-c3ccccc3)sc2nc2oc3ccccc3n12- InChIKey
RGESEFKZFPMQNI-UHFFFAOYSA-N- Molecular formula
- C18H10N2O2S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.04629874
Names & identifiers
- Preferred name
- 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-4-one, 2-phenyl-
- IUPAC
- 13-phenyl-8-oxa-12-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaen-16-one
Names & synonyms
4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-4-one, 2-phenyl-2-Phenyl-4H-thieno(2'3':4,5)pyrimido(2,1-b)benzoxazol-4-one159852-72-9DTXSID70166748RefChem:297939DTXCID90892392-Phenyl-4H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]benzoxazol-4-one
Database identifiers
- CAS
159852-72-9- PubChem CID
- 3074598
- DTXSID
DTXSID70166748- Nikkaji
- J602.894B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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