Basic information
- Standard SMILES
CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3- InChIKey
XKTKCBZPAGUAGX-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O2S2
- Average molar mass
- 420 g/mol
- Monoisotopic mass
- 419.0528969
Names & identifiers
- Preferred name
- 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylacetamide
- IUPAC
- 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylacetamide
Names & synonyms
DTXSID60411471AKOS0009002022-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylacetamide2-{[3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-methylacetamide5684-02-6
Database identifiers
- PubChem CID
- 5226575
- DTXSID
DTXSID60411471
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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