1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
Basic information
- CAS
851451-88-2- Standard SMILES
O=C(NC1CCCCCC1)c1ccc(=O)n(Cc2ccccc2)n1- InChIKey
QXCBZAWWJBIJPM-UHFFFAOYSA-N- Molecular formula
- C19H23N3O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.17902698
Names & identifiers
- Preferred name
- 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
- IUPAC
- 1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
Names & synonyms
1-benzyl-N-cycloheptyl-6-oxo-1,6-dihydropyridazine-3-carboxamide1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamideMLS000772036CHEMBL1610307DTXSID301331754HMS2666O03AKOS017031261851451-88-2SMR000376652Z26421314F5319-0586
Database identifiers
- CAS
851451-88-2- PubChem CID
- 2579680
- DTXSID
DTXSID301331754- ChEMBL
CHEMBL1610307
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Experimental & physicochemical properties
Solubility42.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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