Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-piperidinylacetyl)amino)-, ethyl ester
Basic information
- CAS
62349-04-6- Standard SMILES
CCOC(=O)c1c(NC(C)(O)N2CC=CCC2)sc2c1CCCC2- InChIKey
DXOVIEUULMJYPB-UHFFFAOYSA-N- Molecular formula
- C18H26N2O3S
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.16641387
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-piperidinylacetyl)amino)-, ethyl ester
- IUPAC
- ethyl 2-[[1-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxyethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
BRN 12632885-20-03-00028 (Beilstein Handbook Reference)Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-piperidinylacetyl)amino)-, ethyl esterRefChem:32622762349-04-6DTXSID60977901Ethyl 2-{[1-(3,6-dihydropyridin-1(2H)-yl)-1-hydroxyethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
62349-04-6- PubChem CID
- 3046540
- DTXSID
DTXSID60977901
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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