6,7-Dimethoxy-1-methyl-2-phenyl-1H-quinazolin-4-thione
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Basic information
- Standard SMILES
COc1cc2c(=S)nc(-c3ccccc3)n(C)c2cc1OC- InChIKey
SEXJXTXXOLMMNB-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.09324893
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-1-methyl-2-phenyl-1H-quinazolin-4-thione
- IUPAC
- 6,7-dimethoxy-1-methyl-2-phenylquinazoline-4-thione
Names & synonyms
SCHEMBL1319139SEXJXTXXOLMMNB-UHFFFAOYSA-N6,7-Dimethoxy-1-methyl-2-phenyl-1H-quinazolin-4-thione
Database identifiers
- PubChem CID
- 86635530
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
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Related reactions
4 records
Compound notes
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