Basic information
- Standard SMILES
COC(=O)c1cc(Br)nc(-c2ccc(C(=O)N3CCOCC3)cc2)c1N- InChIKey
DOHUYEUBBUGOOV-UHFFFAOYSA-N- Molecular formula
- C18H18BrN3O4
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-6-bromo-2-(4-(morpholine-4-carbonyl)phenyl)isonicotinate
- IUPAC
- methyl 3-amino-6-bromo-2-[4-(morpholine-4-carbonyl)phenyl]pyridine-4-carboxylate
Names & synonyms
SCHEMBL110162DOHUYEUBBUGOOV-UHFFFAOYSA-Nmethyl 3-amino-6-bromo-2-(4-(morpholine-4-carbonyl)phenyl)-isonicotinateMethyl 3-amino-6-bromo-2-(4-(morpholine-4-carbonyl)phenyl)isonicotinate
Database identifiers
- PubChem CID
- 86663019
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
Loading…