2H-1-Benzopyran-2-one, 3-[2-(4-methylphenyl)-4-thiazolyl]-
Basic information
- CAS
88735-49-3- Standard SMILES
Cc1ccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc1- InChIKey
ZHRZODHNWYHZIF-UHFFFAOYSA-N- Molecular formula
- C19H13NO2S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.06669983
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 3-[2-(4-methylphenyl)-4-thiazolyl]-
- IUPAC
- 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
Names & synonyms
88735-49-32H-1-Benzopyran-2-one, 3-[2-(4-methylphenyl)-4-thiazolyl]-Oprea1_646378DTXSID50357314AP-382/409078103-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2H-chromen-2-one3-[2-(4-Methylphenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Database identifiers
- CAS
88735-49-3- PubChem CID
- 850195
- DTXSID
DTXSID50357314
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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