Basic information
- CAS
42773-61-5- Standard SMILES
CC[NH2+]CCN1C(=O)C(OCC)(c2ccccc2)c2ccccc21.[Cl-]- InChIKey
FNHSRKIDWVINCL-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O2
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.1604557
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-1-(2-(ethylamino)ethyl)-3-ethoxy-3-phenyl-, hydrochloride, hydrate (2:2:1)
- IUPAC
- 2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-ethylazanium chloride
Names & synonyms
1,3-Dihydro-3-ethoxy-1-(2-(ethylamino)ethyl)-3-ethoxy-3-phenyl-2H-indol-2-one HCl hydrate2H-Indol-2-one, 1,3-dihydro-3-ethoxy-1-(2-(ethylamino)ethyl)-3-ethoxy-3-phenyl-, hydrochloride, hydrate (2:2:1)42773-61-5RefChem:268701
Database identifiers
- CAS
42773-61-5- PubChem CID
- 39265
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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