Basic information
- CAS
124392-82-1- Standard SMILES
Cc1cc2c(cc1C)-c1nn(-c3ccccc3)c(-c3ccccc3)c1CCO2- InChIKey
FYIGYBWLWKQJDB-UHFFFAOYSA-N- Molecular formula
- C25H22N2O
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.17321333
Names & identifiers
- Preferred name
- 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-2,3-diphenyl-
- IUPAC
- 8,9-dimethyl-2,3-diphenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole
Names & synonyms
BRN 45612332H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-2,3-diphenyl-124392-82-14,5-Dihydro-8,9-dimethyl-2,3-diphenyl-2H-(1)benzoxepino(5,4-c)pyrazoleDTXSID40154314RefChem:267584DTXCID80768058,9-Dimethyl-2,3-diphenyl-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole
Database identifiers
- CAS
124392-82-1- PubChem CID
- 3079092
- DTXSID
DTXSID40154314
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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