Basic information
- CAS
380569-65-3- Standard SMILES
COc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc(OC)c1- InChIKey
FURRQUXLADTLOM-UHFFFAOYSA-N- Molecular formula
- C21H23FN2O8S
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.11591503
Names & identifiers
- Preferred name
- [2-(3,5-Dimethoxyanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
- IUPAC
- [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
Names & synonyms
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoateOprea1_154324MLS002246284CHEMBL2134340DTXSID001332703HMS3081H04AKOS002487393380569-65-3SMR001309903Z189022732-(3,5-Dimethoxyanilino)-2-oxoethyl 2-fluoro-5-(morpholine-4-sulfonyl)benzoate
Database identifiers
- CAS
380569-65-3- PubChem CID
- 2642003
- DTXSID
DTXSID001332703- ChEMBL
CHEMBL2134340
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Experimental & physicochemical properties
Solubility34.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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