5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)-
Basic information
- CAS
135521-80-1- Standard SMILES
COc1nc2c(c(-c3cccc4ccccc34)c1C#N)CSc1ccc(Cl)cc1-2- InChIKey
IDLJIMOGEUDRJX-UHFFFAOYSA-N- Molecular formula
- C24H15ClN2OS
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.059362
Names & identifiers
- Preferred name
- 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)-
- IUPAC
- 9-chloro-2-methoxy-4-naphthalen-1-yl-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Names & synonyms
BRN 42753685H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)-135521-80-19-Chloro-2-methoxy-4-(1-naphthalenyl)-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrileDTXSID80159444RefChem:305137DTXCID40819359-Chloro-2-methoxy-4-(naphthalen-1-yl)-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitrile
Database identifiers
- CAS
135521-80-1- PubChem CID
- 3077809
- DTXSID
DTXSID80159444
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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