Basic information
- Standard SMILES
O=C1C(=O)c2ccccc2C2=C1SCC1(CCN(C/C=C/c3ccccc3)CC1)O2- InChIKey
FGBTUSUGAHJYTB-RMKNXTFCSA-N- Molecular formula
- C25H23NO3S
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- 1'-[(2E)-3-phenylprop-2-en-1-yl]spiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
- IUPAC
- 1'-[(E)-3-phenylprop-2-enyl]spiro[3H-benzo[h][1,4]benzoxathiine-2,4'-piperidine]-5,6-dione
Names & synonyms
SCHEMBL2523298FGBTUSUGAHJYTB-RMKNXTFCSA-N1'-[(2E)-3-phenylprop-2-en-1-yl]spiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
Database identifiers
- PubChem CID
- 57662007
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 743
Related reactions
1 records
Compound notes
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