2-[[4-(4-Aminobenzoyl)phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one
Basic information
- Standard SMILES
Cc1cccc2nc(SCc3ccc(C(=O)c4ccc(N)cc4)cc3)n(C)c(=O)c12- InChIKey
HIEQIGKTCHVDNG-UHFFFAOYSA-N- Molecular formula
- C24H21N3O2S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.13544809
Names & identifiers
- Preferred name
- 2-[[4-(4-Aminobenzoyl)phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one
- IUPAC
- 2-[[4-(4-aminobenzoyl)phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one
Names & synonyms
SCHEMBL7013147
Database identifiers
- PubChem CID
- 18919002
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 665
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Related reactions
1 records
Compound notes
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