[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Basic information
- CAS
736954-07-7- Standard SMILES
CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cnc(Cl)c(Cl)c1- InChIKey
WRRUZQHBRVFHNV-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2N2O3
- Average molar mass
- 381.2 g/mol
- Monoisotopic mass
- 380.0694478
Names & identifiers
- Preferred name
- [2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
- IUPAC
- [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
Names & synonyms
736954-07-7[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylateMLS002249441CHEMBL1735196DTXSID001323881HMS3088H11AKOS033627842SMR001316872EN300-26593273Z18518029[benzyl(propan-2-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate2-[Benzyl(propan-2-yl)amino]-2-oxoethyl 5,6-dichloropyridine-3-carboxylate
Database identifiers
- CAS
736954-07-7- PubChem CID
- 2364036
- DTXSID
DTXSID001323881- ChEMBL
CHEMBL1735196
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Experimental & physicochemical properties
Solubility33.9 [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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