1,2,4-Triazaspiro[4.5]decan-3-one, 4-benzoyl-2-phenyl-
Basic information
- CAS
59849-98-8- Standard SMILES
O=C(c1ccccc1)N1C(=O)N(c2ccccc2)NC12CCCCC2- InChIKey
RWAFKLLRYAKEKA-UHFFFAOYSA-N- Molecular formula
- C20H21N3O2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.16337692
Names & identifiers
- Preferred name
- 1,2,4-Triazaspiro[4.5]decan-3-one, 4-benzoyl-2-phenyl-
- IUPAC
- 4-benzoyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
Names & synonyms
59849-98-81,2,4-Triazaspiro[4.5]decan-3-one, 4-benzoyl-2-phenyl-DTXSID704865144-BENZOYL-2-PHENYL-1,2,4-TRIAZASPIRO[4.5]DECAN-3-ONE
Database identifiers
- CAS
59849-98-8- PubChem CID
- 12301302
- DTXSID
DTXSID70486514
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
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Compound notes
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