Basic information
- Standard SMILES
CN(C)CCN1C(=O)c2cccc3cc4cccc(NC(=O)Cc5ccc(Cl)cc5)c4c(c23)C1=O- InChIKey
PHTGQVSPVUBQJY-UHFFFAOYSA-N- Molecular formula
- C28H24ClN3O3
- Average molar mass
- 486 g/mol
Names & identifiers
- Preferred name
- 2-(4-chlorophenyl)-N-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}acetamide
- IUPAC
- 2-(4-chlorophenyl)-N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-3-yl]acetamide
Names & synonyms
SCHEMBL3298864PHTGQVSPVUBQJY-UHFFFAOYSA-N2-(4-chlorophenyl)-N-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}acetamide
Database identifiers
- PubChem CID
- 16717840
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 811
Related reactions
2 records
Compound notes
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