Basic information
- CAS
74840-79-2- Standard SMILES
CCCCCCCCCC1c2[nH]c3ccccc3c2C(=O)NN1C(C)=O- InChIKey
ZHELANAYMLQBHT-UHFFFAOYSA-N- Molecular formula
- C21H29N3O2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.22597718
Names & identifiers
- Preferred name
- 3-Acetyl-4-nonyl-2,3,4,5-tetrahydro-1H-pyridazino[4,5-b]indol-1-one
- IUPAC
- 3-acetyl-4-nonyl-4,5-dihydro-2H-pyridazino[4,5-b]indol-1-one
Names & synonyms
74840-79-2NSC339345DTXSID303190763-Acetyl-4-nonyl-2,3,4,5-tetrahydro-1H-pyridazino[4,5-b]indol-1-oneNSC-339345
Database identifiers
- CAS
74840-79-2- PubChem CID
- 334375
- DTXSID
DTXSID30319076
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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