Basic information
- Standard SMILES
COC(=O)c1cc(Br)nc(-c2ccc(OCc3ccccc3)cc2)c1N- InChIKey
RVTQABFPMMPHQO-UHFFFAOYSA-N- Molecular formula
- C20H17BrN2O3
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-2-(4-(benzyloxy)phenyl)-6-bromoisonicotinate
- IUPAC
- methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
Names & synonyms
SCHEMBL110167RVTQABFPMMPHQO-UHFFFAOYSA-Nmethyl 3-amino-2-(4-(benzyloxy)-phenyl)-6-bromoisonicotinatemethyl 3-amino-2-(4-(benzyloxy)phenyl)-6-bromoisonicotinate
Database identifiers
- PubChem CID
- 86663009
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
Related reactions
4 records
Compound notes
Loading…