Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(NC(=O)c2cnc3cc(Br)ccn23)c1- InChIKey
DXOHLCUVWCIDJW-UHFFFAOYSA-N- Molecular formula
- C17H14BrN3O3
- Average molar mass
- 388.2 g/mol
- Monoisotopic mass
- 387.02185
Names & identifiers
- Preferred name
- Methyl 3-(7-bromoimidazo[1,2-a]pyridine-3-carboxamido)-4-methylbenzoate
- IUPAC
- methyl 3-[(7-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylbenzoate
Names & synonyms
SCHEMBL14743004DXOHLCUVWCIDJW-UHFFFAOYSA-NMethyl 3-(7-bromoimidazo[1,2-a]pyridine-3-carboxamido)-4-methylbenzoate
Database identifiers
- PubChem CID
- 71283103
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Linked notes
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