2-{4-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-1-(1-indolinyl)-1-ethanone
Basic information
- CAS
1173047-89-6- Standard SMILES
CC(C)(C)c1csc(CN2CCN(CC(=O)N3CCc4ccccc43)CC2)n1- InChIKey
BRKWUIUFTGZRTN-UHFFFAOYSA-N- Molecular formula
- C22H30N4OS
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.21403277
Names & identifiers
- Preferred name
- 2-{4-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-1-(1-indolinyl)-1-ethanone
- IUPAC
- 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
Names & synonyms
DTXSID901112774SMSSF-00395781173047-89-6F5594-01912-{4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-1-(1-indolinyl)-1-ethanone1-(2,3-Dihydro-1H-indol-1-yl)-2-[4-[[4-(1,1-dimethylethyl)-2-thiazolyl]methyl]-1-piperazinyl]ethanone2-{4-[(4-tert-Butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Database identifiers
- CAS
1173047-89-6- PubChem CID
- 30486348
- DTXSID
DTXSID901112774
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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