6-{6-[(3,3-Dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-3-pyridinyl}-4,6-diazaspiro[2.4]heptane-5,7-dione
Basic information
- Standard SMILES
CC1(C)COc2cccc(Oc3ccc(N4C(=O)NC5(CC5)C4=O)cn3)c21- InChIKey
ZJEURBVUUVBUMC-UHFFFAOYSA-N- Molecular formula
- C20H19N3O4
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.1375561
Names & identifiers
- Preferred name
- 6-{6-[(3,3-Dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-3-pyridinyl}-4,6-diazaspiro[2.4]heptane-5,7-dione
- IUPAC
- 6-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
Names & synonyms
SCHEMBL9901051SCHEMBL30939516ZJEURBVUUVBUMC-UHFFFAOYSA-N6-{6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-3-pyridinyl}-4,6-diazaspiro[2,4]heptane-5,7-dione6-{6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-3-pyridinyl}-4,6-diazaspiro[2.4]heptane-5,7-dione
Database identifiers
- PubChem CID
- 57410222
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 647
Related reactions
1 records
Compound notes
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