[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
Basic information
- CAS
749879-65-0- Standard SMILES
CC(=O)c1cccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1- InChIKey
ZPZPZIAHNLTVQR-UHFFFAOYSA-N- Molecular formula
- C24H28N2O7S
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.16172241
Names & identifiers
- Preferred name
- [2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
- IUPAC
- [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
Names & synonyms
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetateMLS002252713CHEMBL1882693DTXSID601332363HMS3083C17AKOS033938497749879-65-0SMR001315050Z253003172-[2-Methyl-5-(piperidine-1-sulfonyl)anilino]-2-oxoethyl (3-acetylphenoxy)acetate
Database identifiers
- CAS
749879-65-0- PubChem CID
- 4360656
- DTXSID
DTXSID601332363- ChEMBL
CHEMBL1882693
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 820
Experimental & physicochemical properties
Solubility61.5 [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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