Acatamide, N-Benzo(a)pyren-1-yl-
Basic information
- CAS
92758-44-6- Standard SMILES
CC(=O)Nc1ccc2ccc3cc4ccccc4c4ccc1c2c34- InChIKey
JPKIRSGIVARBFO-UHFFFAOYSA-N- Molecular formula
- C22H15NO
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.1153641
Names & identifiers
- Preferred name
- Acatamide, N-Benzo(a)pyren-1-yl-
- IUPAC
- N-benzo[a]pyren-1-ylacetamide
Names & synonyms
Acatamide, N-Benzo(a)pyren-1-yl-92758-44-6DTXSID40239135N-(benzo[pqr]tetraphen-1-yl)acetamide
Database identifiers
- CAS
92758-44-6- PubChem CID
- 186533
- DTXSID
DTXSID40239135
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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