isopropyl 2-amino-4-(3-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate
Basic information
- CAS
923553-31-5- Standard SMILES
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)C1c1cccc(F)c1- InChIKey
QHDSULROELFLBV-UHFFFAOYSA-N- Molecular formula
- C22H18FNO4S
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- isopropyl 2-amino-4-(3-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate
- IUPAC
- propan-2-yl 2-amino-4-(3-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate
- English name
- isopropyl 2-amino-4-(3-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate
- Molecular formula
- C22H18FNO4S
- Molecular weight
- 411.4460232
Names & synonyms
isopropyl 2-amino-4-(3-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylateAM-807/43303293AKOS004112280propan-2-yl 2-amino-4-(3-fluorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate
Database identifiers
- CAS
923553-31-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 762
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Compound notes
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