Basic information
- CAS
476482-74-3- Standard SMILES
CCSc1sc(CC)cc1C1C(C(=O)Nc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2- InChIKey
UTMSPPGDJZVGCW-UHFFFAOYSA-N- Molecular formula
- C27H32N2O2S2
- Average molar mass
- 480.7 g/mol
- Monoisotopic mass
- 480.19052061
Names & identifiers
- Preferred name
- 4-[5-Ethyl-2-(ethylsulfanyl)-3-thienyl]-2,7,7-trimethyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2,7,7-trimethyl-5-oxo-N-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Names & synonyms
476482-74-34-[5-ETHYL-2-(ETHYLSULFANYL)-3-THIENYL]-2,7,7-TRIMETHYL-5-OXO-N-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE4-(5-ETHYL-2-(ETHYLSULFANYL)-3-THIENYL)-2,7,7-TRIMETHYL-5-OXO-N-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:514731648-456-54-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-2,7,7-trimethyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideAKOS001647748AKOS021997428EU-0077293
Database identifiers
- CAS
476482-74-3- PubChem CID
- 5086575
- EC Number
- 648-456-5
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 841
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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