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Basic information
- Standard SMILES
N#Cc1c(Cc2cccc3ccccc23)nc(-c2cccc3c(Br)cccc23)[nH]c1=O- InChIKey
SAUMGGUMZHKXGG-UHFFFAOYSA-N- Molecular formula
- C26H16BrN3O
- Average molar mass
- 466.3 g/mol
Names & identifiers
- Preferred name
- 2-(5-Bromo-1-naphthalenyl)-1,6-dihydro-4-[(1-naphthalenyl)methyl]-6-oxo-5-pyrimidinecarbonitrile
- IUPAC
- 2-(5-bromonaphthalen-1-yl)-4-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL10404326SAUMGGUMZHKXGG-UHFFFAOYSA-N2-(5-Bromo-1-naphthalenyl)-1,6-dihydro-4-[(1-naphthalenyl)methyl]-6-oxo-5-pyrimidinecarbonitrile
Database identifiers
- PubChem CID
- 135847653
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 824
Related reactions
3 records
Compound notes
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