5-benzyl-1-(benzylamino)-11H-pyrimido[4,5-c][2]benzazepin-6-one
Basic information
- CAS
64261-46-7- Standard SMILES
O=C1c2ccccc2Cc2c(NCc3ccccc3)ncnc2N1Cc1ccccc1- InChIKey
GHGAESUOSOHWEV-UHFFFAOYSA-N- Molecular formula
- C26H22N4O
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.17936134
Names & identifiers
- Preferred name
- 5-benzyl-1-(benzylamino)-11H-pyrimido[4,5-c][2]benzazepin-6-one
- IUPAC
- 5-benzyl-1-(benzylamino)-11H-pyrimido[4,5-c][2]benzazepin-6-one
Names & synonyms
64261-46-7NSC2953035-benzyl-1-(benzylamino)-11H-pyrimido[4,5-c][2]benzazepin-6-oneDTXSID30315538NSC-29530311-Benzyl-4-(benzylamino)-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one
Database identifiers
- CAS
64261-46-7- PubChem CID
- 325818
- DTXSID
DTXSID30315538
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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