5-Phenyl-6-oxa-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
Basic information
- CAS
24041-98-3- Standard SMILES
O=c1c2c(nc3n1CCC3)OC(c1ccccc1)C2- InChIKey
SYVYWKNFTUCXBP-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- 5-Phenyl-6-oxa-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
- IUPAC
- 5-phenyl-6-oxa-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
Names & synonyms
NSC12501324041-98-3NSC-125013
Database identifiers
- CAS
24041-98-3- PubChem CID
- 276702
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 475
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Compound notes
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