Basic information
- CAS
83451-37-0- Standard SMILES
Cc1nn(-c2ccccc2)c2c1c(=O)c1ccccc1c(=O)n2C- InChIKey
ITBFJVRENZEEHO-UHFFFAOYSA-N- Molecular formula
- C19H15N3O2
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.11642673
Names & identifiers
- Preferred name
- 1,4-Dimethyl-3-phenylpyrazolo[3,4-c][2]benzazepine-5,10-dione
- IUPAC
- 1,4-dimethyl-3-phenylpyrazolo[5,4-c][2]benzazepine-5,10-dione
Names & synonyms
83451-37-0NSC3708681,4-dimethyl-3-phenylpyrazolo[3,4-c][2]benzazepine-5,10-dioneDTXSID00321141NSC-3708683,10-Dimethyl-1-phenyl-1,10-dihydropyrazolo[3,4-c][2]benzazepine-4,9-dione
Database identifiers
- CAS
83451-37-0- PubChem CID
- 340359
- DTXSID
DTXSID00321141
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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