Basic information
- CAS
305863-22-3- Standard SMILES
CCCCCCc1cc2cc(-c3nc(-c4ccc5c(c4)Cc4ccccc4-5)cs3)c(=O)oc2cc1O- InChIKey
XEHVAUNUJXZRJR-UHFFFAOYSA-N- Molecular formula
- C31H27NO3S
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.1711649
Names & identifiers
- Preferred name
- 3-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxy-2H-chromen-2-one
- IUPAC
- 3-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one
- English name
- 3-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxy-2H-chromen-2-one
- Molecular formula
- C31H27NO3S
- Molecular weight
- 493.62
Names & synonyms
3-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxy-2H-chromen-2-oneSTK700524AKOS005607348AN-212/122931403-(4-(9H-fluoren-2-yl)thiazol-2-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one2H-1-Benzopyran-2-one, 3-[4-(9H-fluoren-2-yl)-2-thiazolyl]-6-hexyl-7-hydroxy-
Database identifiers
- CAS
305863-22-3- PubChem CID
- 135491552
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 816
Physicochemical properties
- Boiling point
- 745.1 · 745.1±70.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- pka
- 8.02 · 8.02±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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