Basic information
- Standard SMILES
O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2- InChIKey
IPMCDCHOUVXMRQ-UHFFFAOYSA-N- Molecular formula
- C26H28N4O3
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- 2-((2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)methyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
Names & synonyms
SCHEMBL2027466CHEMBL3669435IPMCDCHOUVXMRQ-UHFFFAOYSA-NBDBM1021342-((2,3-dihydrobenzo[b][1,4]dioxin-5-yl)methyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
Database identifiers
- PubChem CID
- 53259113
- ChEMBL
CHEMBL3669435
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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