N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
Basic information
- CAS
298207-74-6- Standard SMILES
COc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2- InChIKey
JWEWISPZFGVKEZ-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.09324893
Names & identifiers
- Preferred name
- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
- IUPAC
- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
Names & synonyms
298207-74-6N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamideN-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-methoxybenzamideOprea1_389095Oprea1_422414SCHEMBL3284934STK725441AKOS000536063SR-01000396995SR-01000396995-1Z27368992F0016-0419
Show more names
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-methoxybenzamide
Database identifiers
- CAS
298207-74-6- PubChem CID
- 689737
- EC Number
- 144-623-7
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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