Basic information
- Standard SMILES
NC(=O)C1(c2cccc(Sc3cnc(Cl)c(Cl)c3)c2)CCOCC1- InChIKey
VBTRUQHIKXLLCI-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2O2S
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 382.0309543
Names & identifiers
- Preferred name
- 4-[3-[(5,6-Dichloro-3-pyridinyl)sulfanyl]phenyl]oxane-4-carboxamide
- IUPAC
- 4-[3-[(5,6-dichloro-3-pyridinyl)sulfanyl]phenyl]oxane-4-carboxamide
Names & synonyms
SCHEMBL332888
Database identifiers
- PubChem CID
- 86634280
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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