2-[[(2,5-Dimethoxyphenyl)methylene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Basic information
- CAS
324776-84-3- Standard SMILES
COc1ccc(OC)c(C=Nc2sc3c(c2C#N)CCCC3)c1- InChIKey
JVMLPBXRLPUMMR-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10889899
Names & identifiers
- Preferred name
- 2-[[(2,5-Dimethoxyphenyl)methylene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
- IUPAC
- 2-[(2,5-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Names & synonyms
2-{[(2,5-dimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrileOprea1_141779Oprea1_350527DTXSID001119959AKOS0344383662-[[(2,5-Dimethoxyphenyl)methylene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile324776-84-3
Database identifiers
- CAS
324776-84-3- PubChem CID
- 4617992
- DTXSID
DTXSID001119959
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
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Compound notes
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