7-Bromo-8-methyl-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
Basic information
- CAS
55469-96-0- Standard SMILES
Cc1nc2c(cc1Br)C(=O)NCCN2- InChIKey
XHHWJGDEYURCOM-UHFFFAOYSA-N- Molecular formula
- C9H10BrN3O
- Average molar mass
- 256.1 g/mol
- Monoisotopic mass
- 255.00072
Names & identifiers
- Preferred name
- 7-Bromo-8-methyl-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
- IUPAC
- 7-bromo-8-methyl-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
Names & synonyms
55469-96-0NSC2684707-bromo-8-methyl-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-oneDTXSID90313277NSC-2684707-Bromo-8-methyl-1,2,3,4-tetrahydro-5H-pyrido[2,3-e][1,4]diazepin-5-one
Database identifiers
- CAS
55469-96-0- PubChem CID
- 320502
- DTXSID
DTXSID90313277
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…