4-Acetyl-7H-[1,3]benzimidazo[2,1-A]benzo[DE]isoquinolin-7-one
Basic information
- CAS
21357-90-4- Standard SMILES
CC(=O)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23- InChIKey
YTRBMKKIWQIJKJ-UHFFFAOYSA-N- Molecular formula
- C20H12N2O2
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.08987763
Names & identifiers
- Preferred name
- 4-Acetyl-7H-[1,3]benzimidazo[2,1-A]benzo[DE]isoquinolin-7-one
- IUPAC
- 15-acetyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
Names & synonyms
21357-90-4ST51002539NSC281981SCHEMBL12687848DTXSID00314316AKOS001483006NSC-281981SR-01000078173SR-01000078173-14-acetyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one4-ACETYL-7H-[1,3]BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLIN-7-ONE
Database identifiers
- CAS
21357-90-4- PubChem CID
- 323148
- DTXSID
DTXSID00314316
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…