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Basic information
- Standard SMILES
O=C(c1ccc(CCc2ccccc2)cc1)N1CCc2cc(CN3CCCC3)oc2C1- InChIKey
JJNZDOXRRHAIAS-UHFFFAOYSA-N- Molecular formula
- C27H30N2O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.2307282
Names & identifiers
- Preferred name
- 6-(4-Phenethylbenzoyl)-2-(1-pyrrolidinylmethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
- IUPAC
- [4-(2-phenylethyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]methanone
Names & synonyms
SCHEMBL8436774JJNZDOXRRHAIAS-UHFFFAOYSA-N6-(4-phenethylbenzoyl)-2-(1-pyrrolidinylmethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
Database identifiers
- PubChem CID
- 19600007
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
2 records
Compound notes
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