Basic information
- Standard SMILES
COC(=O)C(C(=O)c1ccccc1F)c1ccc2nc(NC(C)C)sc2c1- InChIKey
JGFDJERXOGFJSL-UHFFFAOYSA-N- Molecular formula
- C20H19FN2O3S
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.11004181
Names & identifiers
- Preferred name
- Methyl 3-(2-fluorophenyl)-2-(2-(isopropylamino)benzo[d]thiazol-6-yl)-3-oxopropanoate
- IUPAC
- methyl 3-(2-fluorophenyl)-3-oxo-2-[2-(propan-2-ylamino)-1,3-benzothiazol-6-yl]propanoate
Names & synonyms
SCHEMBL2278836JGFDJERXOGFJSL-UHFFFAOYSA-NMethyl 3-(2-fluorophenyl)-2-(2-(isopropylamino)benzo[d]thiazol-6-yl)-3-oxopropanoate
Database identifiers
- PubChem CID
- 57527151
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 547
Related reactions
5 records
Compound notes
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