Basic information
- CAS
4298-91-3- Standard SMILES
CN(C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2- InChIKey
LKIJUWMKARDYMX-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2S
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.14019912
Names & identifiers
- Preferred name
- 2-benzamido-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
- IUPAC
- 2-benzamido-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Names & synonyms
4298-91-32-(benzoylamino)-n,n-dimethyl-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxamide2-benzamido-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamideDTXSID30962824ST005803N,N-dimethyl[2-(phenylcarbonylamino)(4,5,6,7,8-pentahydrocyclohepta[1,2-b]thio phen-3-yl)]carboxamideN-[3-(Dimethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzenecarboximidic acid
Database identifiers
- CAS
4298-91-3- PubChem CID
- 872298
- DTXSID
DTXSID30962824
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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