Basic information
- CAS
77563-04-3- Standard SMILES
COc1nc2ccc(NC(C)CN3CCN(CCc4ccccc4)CC3)cc2s1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
TWHLVJARDSJMHY-UHFFFAOYSA-N- Molecular formula
- C27H34N4O9S
- Average molar mass
- 590.6 g/mol
- Monoisotopic mass
- 590.20464985
Names & identifiers
- Preferred name
- Benzothiazole, 2-methoxy-6-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)amino-, oxalate (1:2)
- IUPAC
- 2-methoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid
Names & synonyms
6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-methoxy-benzothiazole oxalateBenzothiazole, 2-methoxy-6-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)amino-, oxalate (1:2)77563-04-3RefChem:328207DTXSID40998775Oxalic acid--2-methoxy-N-{1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl}-1,3-benzothiazol-6-amine (2/1)
Database identifiers
- CAS
77563-04-3- PubChem CID
- 53676
- DTXSID
DTXSID40998775
Properties
Computed structural properties
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…