1-[4-(3-Phenylprop-2-en-1-yl)piperazin-1-yl]-2-[(1,4,5-triphenyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
Basic information
- CAS
5924-26-5- Standard SMILES
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)N1CCN(CC=Cc2ccccc2)CC1- InChIKey
LBOWYHDEXAPXTQ-UHFFFAOYSA-N- Molecular formula
- C36H34N4OS
- Average molar mass
- 570.7 g/mol
- Monoisotopic mass
- 570.24533289
Names & identifiers
- Preferred name
- 1-[4-(3-Phenylprop-2-en-1-yl)piperazin-1-yl]-2-[(1,4,5-triphenyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
- IUPAC
- 1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-2-(1,4,5-triphenylimidazol-2-yl)sulfanylethanone
Names & synonyms
5924-26-5DTXSID104112441-[4-(3-Phenylprop-2-en-1-yl)piperazin-1-yl]-2-[(1,4,5-triphenyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
Database identifiers
- CAS
5924-26-5- PubChem CID
- 5223577
- DTXSID
DTXSID10411244
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 835
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Compound notes
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