Basic information
- CAS
326025-11-0- Standard SMILES
CCCCC1Oc2ccccc2C2CC(c3ccccc3Cl)=NN12- InChIKey
ODJXKWGUUXISDW-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.134241
Names & identifiers
- Preferred name
- 4-Butyl-2-(2-chloro-PH)-1,9B-dihydro-5-oxa-3,3A-diaza-cyclopenta(A)naphthalene
- IUPAC
- 5-butyl-2-(2-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Names & synonyms
Oprea1_727281AKOS001028427AKOS016875949UPCMLD0ENAT0502-7843:001Z567794934-BUTYL-2-(2-CHLORO-PH)-1,9B-DIHYDRO-5-OXA-3,3A-DIAZA-CYCLOPENTA(A)NAPHTHALENE
Database identifiers
- CAS
326025-11-0- PubChem CID
- 4451106
- EC Number
- 166-083-1
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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