Basic information
- CAS
23892-32-2- Standard SMILES
Clc1ccc(C(NCCN2CCN(c3nccs3)CC2)c2ccccc2)cc1- InChIKey
DIJJVQWKIPOUHO-UHFFFAOYSA-N- Molecular formula
- C22H25ClN4S
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.1488457
Names & identifiers
- Preferred name
- Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(2-thiazolyl)-
- IUPAC
- N-[(4-chlorophenyl)-phenylmethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
- English name
- N-[(4-Chlorophenyl)phenylmethyl]-4-(2-thiazolyl)-1-piperazineethanamine
- Molecular formula
- C22H25ClN4S
- Molecular weight
- 412.98
Names & synonyms
23892-32-21-(2-(alpha-(p-Chlorophenyl)benzylamino)ethyl)-4-(2-thiazolyl)piperazinePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(2-thiazolyl)-RefChem:371999DTXSID60946672N-[(4-Chlorophenyl)phenylmethyl]-4-(2-thiazolyl)-1-piperazineethanamineN-[(4-Chlorophenyl)(phenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethan-1-amine1-Piperazineethanamine, N-[(4-chlorophenyl)phenylmethyl]-4-(2-thiazolyl)-
Database identifiers
- CAS
23892-32-2- PubChem CID
- 90994
- DTXSID
DTXSID60946672- Nikkaji
- J50.579J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Boiling point
- 554.1 · 554.1±60.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 8.19 · 8.19±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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