Basic information
- Standard SMILES
Clc1cc(C2=NCCO2)cc(Cl)c1OCCCCCc1cc(CBr)no1- InChIKey
NONDSUPTASYAII-UHFFFAOYSA-N- Molecular formula
- C18H19BrCl2N2O3
- Average molar mass
- 462.2 g/mol
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-5-[5-[2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]-pentyl]-isoxazole
- IUPAC
- 3-(bromomethyl)-5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-1,2-oxazole
Names & synonyms
SCHEMBL5098289NONDSUPTASYAII-UHFFFAOYSA-N3-(bromomethyl)-5-[5-[2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]-pentyl]-isoxazole
Database identifiers
- PubChem CID
- 69310328
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 460
Related reactions
1 records
Compound notes
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