Basic information
- Standard SMILES
O=C(CCCN1CCC2C(C1)c1cccc3c1N2CCC3)c1ccncc1- InChIKey
XFICOGBCTQDJDV-UHFFFAOYSA-N- Molecular formula
- C23H27N3O
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.21541249
Names & identifiers
- Preferred name
- 4-(1,12-Diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl)-1-pyridin-4-ylbutan-1-one
- IUPAC
- 4-(1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl)-1-pyridin-4-ylbutan-1-one
Names & synonyms
SCHEMBL5421681
Database identifiers
- PubChem CID
- 69435185
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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