Basic information
- Standard SMILES
O=S1CCc2nc(Cl)nc(Nc3cccc(Cl)c3)c21- InChIKey
BAGOTHWTKGUPDM-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2N3OS
- Average molar mass
- 314.2 g/mol
Names & identifiers
- Preferred name
- (2-chloro-5-oxo-6,7-dihydro-5H-5lambda4-thieno[3,2-d]pyrimidin-4-yl)-(3-chloro-phenyl)-amine
- IUPAC
- 2-chloro-N-(3-chlorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL590096BAGOTHWTKGUPDM-UHFFFAOYSA-N(2-chloro-5-oxo-6,7-dihydro-5H-5lambda4-thieno[3,2-d]pyrimidin-4-yl)-(3-chloro-phenyl)-amine
Database identifiers
- PubChem CID
- 59708482
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
4 records
Compound notes
Loading…