Basic information
- CAS
843623-11-0- Standard SMILES
COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(F)cc2)cc1OC- InChIKey
RAZYXGYSPGAFFN-UHFFFAOYSA-N- Molecular formula
- C27H21ClFNO5
- Average molar mass
- 493.9 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
- IUPAC
- 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
- English name
- 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
- Molecular formula
- C27H21ClFNO5
- Molecular weight
- 493.91
Names & synonyms
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dioneSTK905536AKOS005183683Z12137438457-chloro-2-(3,4-dimethoxyphenethyl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-1,2-dihydro-
Database identifiers
- CAS
843623-11-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 843
Physicochemical properties
- Boiling point
- 676 · 676.0±55.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -2.41 · -2.41±0.40(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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