[4-(4-Chloro-phenyl)-piperazin-1-YL]-thiophen-3-YL-acetic acid
Basic information
- CAS
885276-94-8- Standard SMILES
O=C(O)C(c1ccsc1)N1CCN(c2ccc(Cl)cc2)CC1- InChIKey
YXSRJABCWQKIMY-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O2S
- Average molar mass
- 336.8 g/mol
- Monoisotopic mass
- 336.0699267
Names & identifiers
- Preferred name
- [4-(4-Chloro-phenyl)-piperazin-1-YL]-thiophen-3-YL-acetic acid
- IUPAC
- 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylacetic acid
- English name
- [4-(4-Chloro-phenyl)-piperazin-1-yl]-thiophen-3-yl-acetic acid
- Molecular formula
- C16H17ClN2O2S
- Molecular weight
- 336.84
Names & synonyms
885276-94-8[4-(4-CHLORO-PHENYL)-PIPERAZIN-1-YL]-THIOPHEN-3-YL-ACETIC ACID2-(4-(4-chlorophenyl)piperazin-1-yl)-2-(thiophen-3-yl)acetic acid2-[4-(4-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylacetic acid2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(thiophen-3-yl)acetic acidDTXSID501208773SB39495DB-353760[4-(4-Chlorophenyl)piperazin-1-yl]thiophen-3-yl-aceticacid4-(4-Chlorophenyl)-I+/--3-thienyl-1-piperazineacetic acid[4-(4-CHLOROPHENYL)PIPERAZIN-1-YL](THIOPHEN-3-YL)ACETIC ACID1-Piperazineacetic acid, 4-(4-chlorophenyl)-α-3-thienyl-
Database identifiers
- CAS
885276-94-8- PubChem CID
- 90477271
- DTXSID
DTXSID501208773
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 507 · 507.0±50.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…