2-[[4-Butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone
Basic information
- CAS
851457-07-3- Standard SMILES
CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1C(CC)N(C)C- InChIKey
IQWHMVDGLHKHEY-UHFFFAOYSA-N- Molecular formula
- C23H36N6OS
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.26713097
Names & identifiers
- Preferred name
- 2-[[4-Butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone
- IUPAC
- 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Names & synonyms
DTXSID001112210AKOS0335464752-[[4-Butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone851457-07-3Z169213812-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Database identifiers
- CAS
851457-07-3- PubChem CID
- 4882474
- DTXSID
DTXSID001112210
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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