Basic information
- CAS
52535-69-0- Standard SMILES
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2- InChIKey
ANKZPSQIMCYPIC-UHFFFAOYSA-N- Molecular formula
- C19H21NO3S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.12421471
Names & identifiers
- Preferred name
- Ethyl 4,5,6,7-tetrahydro-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylate
- IUPAC
- ethyl 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C19H21NO3S
- Molecular weight
- 343.44
Names & synonyms
52535-69-0RefChem:1084884Ethyl 4,5,6,7-tetrahydro-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylateETHYL 2-(2-PHENYLACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATEethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEthyl 2-(2-phenylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateCHEMBL1922942BRN 4734604ethyl 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEnamine_0060042-(2-Phenylacetamido)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid ethyl esterBenzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-phenylacetamido)-, ethyl ester
Show more names
2-PHENYLACETYLAMINO-4,5,6,7-4H-BENZO(B)THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTERBenzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(2-phenylacetyl)amino]-, ethyl ester
Oprea1_297958Oprea1_6653175-18-12-00221 (Beilstein Handbook Reference)SCHEMBL1038897DTXSID30966968HMS1411O03BBL008115BDBM50358827
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers6 total
ARONIS[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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