Basic information
- CAS
23920-57-2- Standard SMILES
O=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CCN(c2nccs2)CC1- InChIKey
FNZQVMVCTCPIDY-UHFFFAOYSA-N- Molecular formula
- C22H22ClN3OS
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.1172112
Names & identifiers
- Preferred name
- Ketone, beta-(p-chlorophenyl)phenethyl 4-(2-thiazolyl)piperazinyl
- IUPAC
- 3-(4-chlorophenyl)-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
- English name
- 3-(p-Chlorophenyl)-3-phenyl-1-[4-(2-thiazolyl)-1-piperazinyl]-1-propanone
- Molecular formula
- C22H22ClN3OS
- Molecular weight
- 411.95
Names & synonyms
23920-57-2beta-(p-Chlorophenyl)phenethyl 4-(2-thiazolyl)piperazinyl ketone1-(3-(p-Chlorophenyl)-3-phenylpropionyl)-4-(2-thiazolyl)piperazineKETONE, beta-(p-CHLOROPHENYL)PHENETHYL 4-(2-THIAZOLYL)PIPERAZINYLPiperazine, 1-(3-(p-chlorophenyl)-3-phenylpropionyl)-4-(2-thiazolyl)-Piperazine, 3-(p-chloro-beta-phenylhydrocinnamoyl)-4-(2-thiazolyl)-RefChem:3504453-(4-chlorophenyl)-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-oneDTXSID509467423-(p-Chlorophenyl)-3-phenyl-1-[4-(2-thiazolyl)-1-piperazinyl]-1-propanone1-Propanone, 3-(4-chlorophenyl)-3-phenyl-1-[4-(2-thiazolyl)-1-piperazinyl]-
Database identifiers
- CAS
23920-57-2- PubChem CID
- 32145
- DTXSID
DTXSID50946742- Nikkaji
- J41.537E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Density
- 1.1382 · 1.1382 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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