Ethyl 4,5,6,7-tetrahydro-5-methyl-2-((2-(1-piperidinyl)acetyl)amino)benzo(b)thiophene-3-carboxylate
Basic information
- CAS
76981-89-0- Standard SMILES
CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CC(C)CC2- InChIKey
USJYYZMMBGDYKJ-UHFFFAOYSA-N- Molecular formula
- C19H28N2O3S
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.18206393
Names & identifiers
- Preferred name
- Ethyl 4,5,6,7-tetrahydro-5-methyl-2-((2-(1-piperidinyl)acetyl)amino)benzo(b)thiophene-3-carboxylate
- IUPAC
- ethyl 5-methyl-2-[(2-piperidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
76981-89-0RefChem:1084885Ethyl 4,5,6,7-tetrahydro-5-methyl-2-((2-(1-piperidinyl)acetyl)amino)benzo(b)thiophene-3-carboxylateBRN 5611167Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(2-piperidinoacetamido)-, ethyl esterSCHEMBL6203802DTXSID10998267N-[3-(Ethoxycarbonyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl](piperidin-1-yl)ethanimidic acidN-[3-(Ethoxycarbonyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(piperidin-1-yl)ethanimidic acid
Database identifiers
- CAS
76981-89-0- PubChem CID
- 53566
- DTXSID
DTXSID10998267- Nikkaji
- J67.786H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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