Basic information
- Standard SMILES
O=C(CN(CCCN1CCOCC1)Cc1ccccc1)c1ccc2c(c1)CCCCC2- InChIKey
WUMXMKNVAKMHGZ-UHFFFAOYSA-N- Molecular formula
- C27H36N2O2
- Average molar mass
- 420.6 g/mol
- Monoisotopic mass
- 420.2776784
Names & identifiers
- Preferred name
- 2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone
- IUPAC
- 2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone
Names & synonyms
DTXSID4013843202-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone
Database identifiers
- PubChem CID
- 39336
- DTXSID
DTXSID401384320
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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