[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
Basic information
- CAS
521278-45-5- Standard SMILES
COc1ccc(CCNC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1- InChIKey
IXLCMSCBIOQSCI-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2O4
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 382.0487124
Names & identifiers
- Preferred name
- [2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
- IUPAC
- [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
Names & synonyms
521278-45-5[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylateMLS002252174CHEMBL1887245DTXSID501323848HMS3072A11AKOS034460032SMR001314521EN300-26589028SR-01000870041SR-01000870041-2Z56840941
Show more names
{[2-(4-methoxyphenyl)ethyl]carbamoyl}methyl 2,6-dichloropyridine-4-carboxylate2-{[2-(4-Methoxyphenyl)ethyl]amino}-2-oxoethyl 2,6-dichloropyridine-4-carboxylate
Database identifiers
- CAS
521278-45-5- PubChem CID
- 2358005
- DTXSID
DTXSID501323848- ChEMBL
CHEMBL1887245
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Experimental & physicochemical properties
Solubility23.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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