Basic information
- Standard SMILES
CN1CCN(C(=O)CN2CC(=O)Nc3ncc(Br)cc3C2)CC1- InChIKey
GXMWYKOFMIRKDI-UHFFFAOYSA-N- Molecular formula
- C15H20BrN5O2
- Average molar mass
- 382.26 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one
- IUPAC
- 7-bromo-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one
Names & synonyms
SCHEMBL1254620GXMWYKOFMIRKDI-UHFFFAOYSA-N7-Bromo-4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 59456906
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
5 records
Compound notes
Loading…