2H-Benz(g)indazole, 3,3a,4,5-tetrahydro-2-acetyl-7-methoxy-3-phenyl-, trans-
Basic information
- CAS
78439-95-9- Standard SMILES
COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccccc1- InChIKey
ZPCYSKLIRQUUEZ-UYAOXDASSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Names & identifiers
- Preferred name
- 2H-Benz(g)indazole, 3,3a,4,5-tetrahydro-2-acetyl-7-methoxy-3-phenyl-, trans-
- IUPAC
- 1-[(3S,3aS)-7-methoxy-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
Names & synonyms
2H-Benz(g)indazole, 3,3a,4,5-tetrahydro-2-acetyl-7-methoxy-3-phenyl-, trans-78439-95-9trans-3,3a,4,5-Tetrahydro-2-acetyl-7-methoxy-3-phenyl-2H-benz(g)indazoleDTXSID502290821-[(3S,3aS)-7-Methoxy-3-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]ethan-1-one
Database identifiers
- CAS
78439-95-9- PubChem CID
- 3060985
- DTXSID
DTXSID50229082
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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