Basic information
- Standard SMILES
CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(Br)cc4Cl)cc3)c(Cl)cc21- InChIKey
RDYWRBCGDHPDMO-UHFFFAOYSA-N- Molecular formula
- C27H24BrCl2NO5
- Average molar mass
- 593.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-(4-(4-bromo-2-chlorophenethylcarbamoyl)phenoxy)-6-chlorochroman-4-carboxylate
- IUPAC
- ethyl 7-[4-[2-(4-bromo-2-chlorophenyl)ethylcarbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylate
Names & synonyms
SCHEMBL1569738RDYWRBCGDHPDMO-UHFFFAOYSA-Nethyl 7-(4-(4-bromo-2-chlorophenethylcarbamoyl)phenoxy)-6-chlorochroman-4-carboxylate
Database identifiers
- PubChem CID
- 67080296
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 737
Related reactions
4 records
Compound notes
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