Basic information
- CAS
303024-76-2- Standard SMILES
Cc1cccn2c(=O)c(C=Nc3ccccc3)c(SCc3ccccc3)nc12- InChIKey
GVCULYVOHWYNMT-UHFFFAOYSA-N- Molecular formula
- C23H19N3OS
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.12488341
Names & identifiers
- Preferred name
- 2-(Benzylsulfanyl)-9-methyl-3-[(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 2-benzylsulfanyl-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
Names & synonyms
Oprea1_875408DTXSID101124646303024-76-22-(Benzylsulfanyl)-9-methyl-3-[(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one9-Methyl-3-[(phenylimino)methyl]-2-[(phenylmethyl)thio]-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- CAS
303024-76-2- PubChem CID
- 23965006
- DTXSID
DTXSID101124646
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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