ethyl 2-[(morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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Basic information
- CAS
76981-94-7- Standard SMILES
CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2- InChIKey
UFBBDQBPUCZVLE-UHFFFAOYSA-N- Molecular formula
- C18H26N2O4S
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.16132849
Names & identifiers
- Preferred name
- ethyl 2-[(morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- English name
- ethyl 2-[(4-morpholinylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- Molecular formula
- C18H26N2O4S
- Molecular weight
- 366.48
Names & synonyms
ethyl 2-[(morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateSTK070427AKOS003973969ethyl 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAB00092776-01AG-667/11912028SR-01000424136SR-01000424136-1ethyl 2-(2-morpholinoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate76981-94-7ethyl 2-[(4-morpholinylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-(4-morpholinyl)acetyl]amino]-, ethyl ester
Database identifiers
- CAS
76981-94-7- PubChem CID
- 2860293
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
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Compound notes
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