Basic information
- Standard SMILES
CN(CCC1CN(C(=O)OCc2cc(Cl)cc(Cl)c2)CCO1)C(=O)c1c[nH]c(=O)o1- InChIKey
RRZDUHQESVKYOG-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2N3O6
- Average molar mass
- 458.3 g/mol
Names & identifiers
- Preferred name
- 3,5-Dichlorobenzyl 2-(2-(N-methyl-2-oxo-2,3-dihydrooxazole-5-carboxamido)ethyl)morpholine-4-carboxylate
- IUPAC
- (3,5-dichlorophenyl)methyl 2-[2-[methyl-(2-oxo-3H-1,3-oxazole-5-carbonyl)amino]ethyl]morpholine-4-carboxylate
Names & synonyms
CHEMBL3922500SCHEMBL15795390RRZDUHQESVKYOG-UHFFFAOYSA-NBDBM241102US9409895, 133,5-Dichlorobenzyl 2-(2-(N-methyl-2-oxo-2,3-dihydrooxazole-5-carboxamido)ethyl)morpholine-4-carboxylate
Database identifiers
- PubChem CID
- 76286352
- ChEMBL
CHEMBL3922500
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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