Basic information
- Standard SMILES
CC(COc1ccc(C2=NNC(=O)CC2)cc1)NCC(O)c1cccc(Cl)c1- InChIKey
RVHHVVBYVQSQDP-UHFFFAOYSA-N- Molecular formula
- C21H24ClN3O3
- Average molar mass
- 401.9 g/mol
Names & identifiers
- Preferred name
- 6-[4-[2-[(3-chloro-beta-hydroxyphenethyl)amino]propyloxy]-phenyl]-4,5-dihydro-3(2H)-pyridazinone
- IUPAC
- 3-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
SCHEMBL9631886RVHHVVBYVQSQDP-UHFFFAOYSA-N6-[4-[2-[(3-chloro-beta-hydroxyphenethyl)amino]propyloxy]-phenyl]-4,5-dihydro-3(2H)-pyridazinone
Database identifiers
- PubChem CID
- 19874486
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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