Basic information
- Standard SMILES
COC(=O)c1ccc(C(C)NC(=O)c2sc(Cl)cc2Cc2cccc(Cl)c2)cc1- InChIKey
FTZPPOJVJNJFID-UHFFFAOYSA-N- Molecular formula
- C22H19Cl2NO3S
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 447.04627
Names & identifiers
- Preferred name
- Methyl 4-[1-({[5-chloro-3-(3-chlorobenzyl)-2-thienyl]carbonyl}amino)ethyl]benzoate
- IUPAC
- methyl 4-[1-[[5-chloro-3-[(3-chlorophenyl)methyl]thiophene-2-carbonyl]amino]ethyl]benzoate
Names & synonyms
SCHEMBL4089584FTZPPOJVJNJFID-UHFFFAOYSA-Nmethyl 4-[1-({[5-chloro-3-(3-chlorobenzyl)-2-thienyl]carbonyl}amino)ethyl]benzoate
Database identifiers
- PubChem CID
- 45140205
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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