Basic information
- CAS
74840-50-9- Standard SMILES
CC(=O)Oc1ccc(C2c3c(n(C(C)=O)c4ccccc34)C(=O)NN2C(C)=O)cc1- InChIKey
DNKYLRRELIOPIZ-UHFFFAOYSA-N- Molecular formula
- C22H19N3O5
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.13247072
Names & identifiers
- Preferred name
- [4-(2,5-Diacetyl-4-oxo-1,3-dihydropyridazino[4,5-b]indol-1-yl)phenyl] acetate
- IUPAC
- [4-(2,5-diacetyl-4-oxo-1,3-dihydropyridazino[4,5-b]indol-1-yl)phenyl] acetate
Names & synonyms
74840-50-9NSC339342[4-(2,5-diacetyl-4-oxo-1,3-dihydropyridazino[4,5-b]indol-1-yl)phenyl] acetateDTXSID10319074NSC-3393424-(2,5-Diacetyl-4-oxo-2,3,4,5-tetrahydro-1H-pyridazino[4,5-b]indol-1-yl)phenyl acetate
Database identifiers
- CAS
74840-50-9- PubChem CID
- 334372
- DTXSID
DTXSID10319074
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 732
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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