Basic information
- Standard SMILES
COC(=O)c1cccc(CC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c1- InChIKey
BTLXBJBBTNKZOW-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2N2O4
- Average molar mass
- 451.3 g/mol
- Monoisotopic mass
- 450.1113126
Names & identifiers
- Preferred name
- Methyl 3-[2-({[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}amino)-2-oxoethyl]benzoate
- IUPAC
- methyl 3-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]benzoate
Names & synonyms
SCHEMBL4023012BTLXBJBBTNKZOW-UHFFFAOYSA-NMethyl 3-[2-({[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}amino)-2-oxoethyl]benzoate
Database identifiers
- PubChem CID
- 21963019
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 579
Related reactions
5 records
Compound notes
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