Basic information
- CAS
439095-03-1- Standard SMILES
Cn1ccc2c(NC(=O)Nc3ccccc3)c3ccccc3c(C#N)c21- InChIKey
GCYJWXWZUTVYPZ-UHFFFAOYSA-N- Molecular formula
- C21H16N4O
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13241115
Names & identifiers
- Preferred name
- N-(9-cyano-1-methyl-1H-benzo[f]indol-4-yl)-N'-phenylurea
- IUPAC
- 1-(9-cyano-1-methylbenzo[f]indol-4-yl)-3-phenylurea
Names & synonyms
439095-03-1N-(9-cyano-1-methyl-1H-benzo[f]indol-4-yl)-N'-phenylurea1-(9-cyano-1-methylbenzo[f]indol-4-yl)-3-phenylureaOprea1_1261271-(9-Cyano-1-methyl-1H-benzo[f]indol-4-yl)-3-phenylureaDTXSID301206121AKOS0050823921H-0263-{9-cyano-1-methyl-1H-benzo[f]indol-4-yl}-1-phenylureaN-(9-Cyano-1-methyl-1H-benz[f]indol-4-yl)-Na(2)-phenylurea
Database identifiers
- CAS
439095-03-1- PubChem CID
- 3695558
- DTXSID
DTXSID301206121
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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