Basic information
- Standard SMILES
CN1c2ccccc2C(C)(C)C12CNc1c(cc(N3CCCCC3)c3oc4ccccc4c13)O2- InChIKey
SJCSPLMSBHYLDT-UHFFFAOYSA-N- Molecular formula
- C29H31N3O2
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.24162724
Names & identifiers
- Preferred name
- 1,3,3-trimethyl-6'-piperidinospiro[2H-indole 2,3'-[3H]-[2H-[1,4]benzoxazino [6,5-b]benzofuran]]
- IUPAC
- 1',3',3'-trimethyl-6-piperidin-1-ylspiro[1,2-dihydro-[1]benzofuro[3,2-f][1,4]benzoxazine-3,2'-indole]
Names & synonyms
SCHEMBL9093341SJCSPLMSBHYLDT-UHFFFAOYSA-N1,3,3-trimethyl-6'-piperidinospiro[2H-indole 2,3'-[3H]-[2H-[1,4]benzoxazino [6,5-b]benzofuran]]
Database identifiers
- PubChem CID
- 54308342
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 768
Related reactions
1 records
Compound notes
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