3,4-Dibenzoyl-2-phenylpyrido[2,1-b][1,3]benzothiazol-1-one
Basic information
- CAS
66085-24-3- Standard SMILES
O=C(c1ccccc1)c1c(-c2ccccc2)c(=O)n2c(sc3ccccc32)c1C(=O)c1ccccc1- InChIKey
XWFNQGANHQWGLT-UHFFFAOYSA-N- Molecular formula
- C31H19NO3S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.10856464
Names & identifiers
- Preferred name
- 3,4-Dibenzoyl-2-phenylpyrido[2,1-b][1,3]benzothiazol-1-one
- IUPAC
- 3,4-dibenzoyl-2-phenylpyrido[2,1-b][1,3]benzothiazol-1-one
Names & synonyms
66085-24-33,4-dibenzoyl-2-phenylpyrido[2,1-b][1,3]benzothiazol-1-oneNSC303526DTXSID10316427NSC-3035263,4-Dibenzoyl-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazol-1-one
Database identifiers
- CAS
66085-24-3- PubChem CID
- 327602
- DTXSID
DTXSID10316427
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 962
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Compound notes
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