Basic information
- CAS
84313-88-2- Standard SMILES
O=C1CCC(c2ccc(N3CCOCC3)c(Br)c2)=NN1- InChIKey
MZZHJMQMYSJQIM-UHFFFAOYSA-N- Molecular formula
- C14H16BrN3O2
- Average molar mass
- 338.2 g/mol
- Monoisotopic mass
- 337.04259
Names & identifiers
- Preferred name
- 6-[3-Bromo-4-(morpholin-4-yl)phenyl]-4,5-dihydropyridazin-3(2H)-one
- IUPAC
- 3-(3-bromo-4-morpholin-4-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
84313-88-2SCHEMBL10757481DTXSID606031776-[3-Bromo-4-(morpholin-4-yl)phenyl]-4,5-dihydropyridazin-3(2H)-one
Database identifiers
- CAS
84313-88-2- PubChem CID
- 20162925
- DTXSID
DTXSID60603177- Nikkaji
- J457.250E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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