N-(5-Bromo-1,3-benzothiazol-2-YL)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
476483-17-7- Standard SMILES
CC1=C(C(=O)Nc2nc3cc(Br)ccc3s2)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N1- InChIKey
KOAXNROWLIWZOI-UHFFFAOYSA-N- Molecular formula
- C26H24BrN3O2S
- Average molar mass
- 522.5 g/mol
- Monoisotopic mass
- 521.07726
Names & identifiers
- Preferred name
- N-(5-Bromo-1,3-benzothiazol-2-YL)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- N-(5-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
- English name
- SALOR-INT L219703-1EA
- Molecular formula
- C26H24BrN3O2S
- Molecular weight
- 522.46
Names & synonyms
476483-17-7N-(5-BROMO-1,3-BENZOTHIAZOL-2-YL)-2,7,7-TRIMETHYL-5-OXO-4-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:828045648-368-7N-(5-Bromobenzo[d]thiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideZINC05918159AKOS024407918SALOR-INT L219703-1EA
Database identifiers
- CAS
476483-17-7- PubChem CID
- 4456864
- EC Number
- 648-368-7
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 892
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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