O-[2-(2,6-dimethyl-3-pyridylamino)-2-ketoethyl] O-methyl O-(4-chlorophenyl) phosphate
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Basic information
- Standard SMILES
COP(=O)(OCC(=O)Nc1ccc(C)nc1C)Oc1ccc(Cl)cc1- InChIKey
UUBOVDCOEXQKLU-UHFFFAOYSA-N- Molecular formula
- C16H18ClN2O5P
- Average molar mass
- 384.75 g/mol
Names & identifiers
- Preferred name
- O-[2-(2,6-dimethyl-3-pyridylamino)-2-ketoethyl] O-methyl O-(4-chlorophenyl) phosphate
- IUPAC
- (4-chlorophenyl) [2-[(2,6-dimethyl-3-pyridinyl)amino]-2-oxoethyl] methyl phosphate
Names & synonyms
SCHEMBL11800068UUBOVDCOEXQKLU-UHFFFAOYSA-NO-[2-(2,6-dimethyl-3-pyridylamino)-2-ketoethyl] O-methyl O-(4-chlorophenyl) phosphate
Database identifiers
- PubChem CID
- 54372328
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
2 records
Compound notes
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