[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
Basic information
- CAS
852907-89-2- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCCc1ccc(F)cc1- InChIKey
DKAGAIQOSVNKKN-UHFFFAOYSA-N- Molecular formula
- C22H25FN2O6S
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.14173586
Names & identifiers
- Preferred name
- [2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
- IUPAC
- [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
Names & synonyms
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoateMLS002246024CHEMBL1713101DTXSID101332706HMS3056B08AKOS002486968852907-89-2SMR001309651Z187993012-{[2-(4-Fluorophenyl)ethyl]amino}-2-oxoethyl 2-methyl-5-(morpholine-4-sulfonyl)benzoate
Database identifiers
- CAS
852907-89-2- PubChem CID
- 4845871
- DTXSID
DTXSID101332706- ChEMBL
CHEMBL1713101
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Experimental & physicochemical properties
Solubility60.2 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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