Poli 94
Basic information
- CAS
21484-40-2- Standard SMILES
Cl.O=C(CCN1CCCCCC1)c1nn(-c2ccccc2)c2c1CCCC2- InChIKey
GWTGTXWJLCHEKF-UHFFFAOYSA-N- Molecular formula
- C22H30ClN3O
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.2077403
Names & identifiers
- Preferred name
- Poli 94
- IUPAC
- 3-(azepan-1-yl)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one;hydrochloride
Names & synonyms
Poli 9421484-40-2DTXSID201757691-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(4,5,6,7-tetrahydro-1-phenyl-1H-indazol-3-yl)-, monohydrochloride3-(Hexahydro-1H-azepin-1-yl)-1-(4,5,6,7-tetrahydro-1-phenyl-1H-indazol-3-yl)-1-propanone HClRefChem:373634DTXCID50982603-(Azepan-1-yl)-1-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
21484-40-2- PubChem CID
- 210659
- DTXSID
DTXSID20175769
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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