3-Amino-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(B)thieno(3,2-E)pyridine-2-carboxamide
Basic information
- CAS
428445-94-7- Standard SMILES
Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)CCCCC3- InChIKey
RXKXJYVYEKSLRK-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3OS
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.0859111
Names & identifiers
- Preferred name
- 3-Amino-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(B)thieno(3,2-E)pyridine-2-carboxamide
- IUPAC
- 6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
- English name
- SALOR-INT L225290-1EA
- Molecular formula
- C19H18ClN3OS
- Molecular weight
- 371.88
Names & synonyms
3-Amino-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide428445-94-73-Amino-N-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(B)thieno(3,2-E)pyridine-2-carboxamideRefChem:497616648-678-2ChemDiv1_007552Oprea1_066280Oprea1_789196HMS608H06AKOS001644400CCG-109398SR-01000467389
Show more names
SALOR-INT L225290-1EA
SR-01000467389-16-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
Database identifiers
- CAS
428445-94-7- PubChem CID
- 1990785
- EC Number
- 648-678-2
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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