Methyl 4-[7-fluoro-2-(2-furylmethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
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Basic information
- CAS
847273-35-2- Standard SMILES
COC(=O)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1- InChIKey
CIJUHQIHPWYSII-UHFFFAOYSA-N- Molecular formula
- C24H16FNO6
- Average molar mass
- 433.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[7-fluoro-2-(2-furylmethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
- IUPAC
- methyl 4-[7-fluoro-2-(furan-2-ylmethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
- English name
- methyl 4-[7-fluoro-2-(2-furylmethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
- Molecular formula
- C24H16FNO6
- Molecular weight
- 433.39
Names & synonyms
847273-35-2methyl 4-[7-fluoro-2-(2-furylmethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoatemethyl 4-(7-fluoro-2-(furan-2-ylmethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoatemethyl 4-[7-fluoro-2-(furan-2-ylmethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoatemethyl 4-[7-fluoro-2-(furan-2-ylmethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoateSTK906242AKOS005183801AO-022/43455354Z1213745542methyl 4-{7-fluoro-2-[(furan-2-yl)methyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoateBenzoic acid, 4-[7-fluoro-2-(2-furanylmethyl)-1,2,3,9-tetrahydro-3,9-dioxo[1]benzopyrano[2,3-c]pyrrol-1-yl]-, methyl ester
Database identifiers
- CAS
847273-35-2
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 819
Physicochemical properties
- Boiling point
- 641.2 · 641.2±55.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -2.78 · -2.78±0.40(Predicted)
Related reactions
0 records
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Compound notes
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