2-Amino-6,7-dihydro-7,7-dimethyl-5-[2-(5-methyl-2-furanyl)ethenyl]benzo[b]thiophene-3-carbonitrile
Basic information
- CAS
733044-94-5- Standard SMILES
Cc1ccc(C=CC2=Cc3c(sc(N)c3C#N)C(C)(C)C2)o1- InChIKey
VELUEDVQFIRCTG-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.11398438
Names & identifiers
- Preferred name
- 2-Amino-6,7-dihydro-7,7-dimethyl-5-[2-(5-methyl-2-furanyl)ethenyl]benzo[b]thiophene-3-carbonitrile
- IUPAC
- 2-amino-7,7-dimethyl-5-[2-(5-methylfuran-2-yl)ethenyl]-6H-1-benzothiophene-3-carbonitrile
Names & synonyms
DTXSID801115363AKOS0344651852-Amino-6,7-dihydro-7,7-dimethyl-5-[2-(5-methyl-2-furanyl)ethenyl]benzo[b]thiophene-3-carbonitrile733044-94-52-amino-7,7-dimethyl-5-[2-(5-methylfuran-2-yl)ethenyl]-6,7-dihydro-1-benzothiophene-3-carbonitrile
Database identifiers
- CAS
733044-94-5- PubChem CID
- 3757148
- DTXSID
DTXSID801115363
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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