Ethyl 2-[2-(4-phenylpiperazin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Basic information
- CAS
833439-05-7- Standard SMILES
CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CCCC2- InChIKey
ZHMAOEMOPVGYMC-UHFFFAOYSA-N- Molecular formula
- C23H29N3O3S
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.19296297
Names & identifiers
- Preferred name
- Ethyl 2-[2-(4-phenylpiperazin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- Ethyl 2-([2-(4-phenylpiperazino)acetyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C23H29N3O3S
- Molecular weight
- 427.56
Names & synonyms
833439-05-7ethyl 2-[2-(4-phenylpiperazin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEthyl 2-(2-(4-phenylpiperazin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-{[2-(4-phenylpiperazino)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateC23H29N3O3SSTL510465AKOS000408632Ethyl 2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylateCS-03642927T-0612ethyl 2-{[(4-phenylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Show more names
Ethyl 2-([2-(4-phenylpiperazino)acetyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-(4-phenyl-1-piperazinyl)acetyl]amino]-, ethyl ester
ethyl2-[2-(4-phenylpiperazin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 590
Physicochemical properties
- Melting point
- 192 · 192-193 °C(Solv: methanol (67-56-1))
- Boiling point
- 652.3 · 652.3±55.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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