[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
Basic information
- CAS
390385-00-9- Standard SMILES
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCc1ccc(Cl)cc1- InChIKey
LOYMJCDKRVEFAG-UHFFFAOYSA-N- Molecular formula
- C20H20ClFN2O6S
- Average molar mass
- 470.9 g/mol
- Monoisotopic mass
- 470.0714634
Names & identifiers
- Preferred name
- [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
- IUPAC
- [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
Names & synonyms
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoateMLS002245362CHEMBL1886262DTXSID801332733HMS3061O10AKOS033605441390385-00-9SMR001309015AB00723604-01Z183065732-{[(4-Chlorophenyl)methyl]amino}-2-oxoethyl 4-fluoro-3-(morpholine-4-sulfonyl)benzoate
Database identifiers
- CAS
390385-00-9- PubChem CID
- 2098166
- DTXSID
DTXSID801332733- ChEMBL
CHEMBL1886262
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 720
Experimental & physicochemical properties
Solubility7.1 [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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