Basic information
- Standard SMILES
CC(C)CC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccc(Br)cc23)CC1- InChIKey
NOBJWKWKPDYABS-UHFFFAOYSA-N- Molecular formula
- C24H27BrN4O3
- Average molar mass
- 499.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-[6-Bromo-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
- IUPAC
- 1-[4-[6-bromo-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
Names & synonyms
SCHEMBL1622439
Database identifiers
- PubChem CID
- 136366716
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 630
Related reactions
2 records
Compound notes
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