[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
Basic information
- CAS
399589-38-9- Standard SMILES
COc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
QQNDRYXJFBLBBD-UHFFFAOYSA-N- Molecular formula
- C22H26N2O6S
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.15115773
Names & identifiers
- Preferred name
- [2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
- IUPAC
- [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
Names & synonyms
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoateMLS002246157CHEMBL1875759DTXSID801332438HMS3043I16AKOS033639434399589-38-9SMR001309779Z187331902-{[(2-Methoxyphenyl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate
Database identifiers
- CAS
399589-38-9- PubChem CID
- 3249183
- DTXSID
DTXSID801332438- ChEMBL
CHEMBL1875759
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Experimental & physicochemical properties
Solubility2.1 [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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