Basic information
- Standard SMILES
COc1cccc2c1OC1C3CCC4(C(=O)N(CC5CC5)CCC214)C(CO)C3- InChIKey
JNTYHJKEDUVPHT-UHFFFAOYSA-N- Molecular formula
- C23H29NO4
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 3-cyclopropylmethyl-5-hydroxymethyl-9-methoxy-1,2,5,6,7,7a-hexahydro-4a,7-ethanobenzofuro[3,2-e]isoquinolin-4(3H)-one
- IUPAC
- 3-(cyclopropylmethyl)-17-(hydroxymethyl)-11-methoxy-13-oxa-3-azapentacyclo[13.2.2.01,6.06,14.07,12]nonadeca-7(12),8,10-trien-2-one
Names & synonyms
SCHEMBL10668929JNTYHJKEDUVPHT-UHFFFAOYSA-N3-cyclopropylmethyl-5-hydroxymethyl-9-methoxy-1,2,5,6,7,7a-hexahydro-4a,7-ethanobenzofuro[3,2-e]isoquinolin-4(3H)-one
Database identifiers
- PubChem CID
- 21294461
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 665
Related reactions
1 records
Compound notes
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