N-(6-Ethoxy-benzothiazol-2-yl)-2-(4-pyridin-2-yl-piperazin-1-yl)-acetamide
Basic information
- CAS
227957-73-5- Standard SMILES
CCOc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1- InChIKey
UDHIMDSNSOMCIB-UHFFFAOYSA-N- Molecular formula
- C20H23N5O2S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.15724617
Names & identifiers
- Preferred name
- N-(6-Ethoxy-benzothiazol-2-yl)-2-(4-pyridin-2-yl-piperazin-1-yl)-acetamide
- IUPAC
- N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Names & synonyms
N-(6-Ethoxy-benzothiazol-2-yl)-2-(4-pyridin-2-yl-piperazin-1-yl)-acetamide227957-73-5MLS000030146CHEMBL1342930DTXSID501161462HMS2322K04AKOS003095882SMR000000386Z98672201N-(6-Ethoxy-2-benzothiazolyl)-4-(2-pyridinyl)-1-piperazineacetamideN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
Database identifiers
- CAS
227957-73-5- PubChem CID
- 649685
- DTXSID
DTXSID501161462- ChEMBL
CHEMBL1342930
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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