Basic information
- Standard SMILES
N#CN=C1c2cc(Br)ccc2OC12CCc1ccccc1CC2- InChIKey
VSXKUCOLPIBNHH-UHFFFAOYSA-N- Molecular formula
- C19H15BrN2O
- Average molar mass
- 367.2 g/mol
Names & identifiers
- Preferred name
- N-(5'-bromo-5,6,8,9-tetrahydro-3'H-spiro[benzo[7]annulene-7,2'-benzofuran]-3'-ylidene)cyanamide
- IUPAC
- (5-bromospiro[1-benzofuran-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3-ylidene)cyanamide
Names & synonyms
SCHEMBL1464155SCHEMBL1464156VSXKUCOLPIBNHH-UHFFFAOYSA-NN-(5'-bromo-5, 6,8,9-tetrahydro-3'H-spiro[benzo[7]annulene-7,2'-benzofuran]-3'-ylidene)cyanamideN-(5'-bromo-5,6,8,9-tetrahydro-3'H-spiro[benzo[7]annulene-7,2'-benzofuran]-3'-ylidene)cyanamide
Database identifiers
- PubChem CID
- 58197813
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
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