Benzothiazole, 2-methoxy-6-(N-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-propionamido)-, oxalate (1:2)
Basic information
- CAS
77563-12-3- Standard SMILES
CCC(=O)N(c1ccc2nc(OC)sc2c1)C(C)CN1CCN(CCc2ccccc2)CC1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
OCKDGFTVRHCBRM-UHFFFAOYSA-N- Molecular formula
- C30H38N4O10S
- Average molar mass
- 646.7 g/mol
- Monoisotopic mass
- 646.2308646
Names & identifiers
- Preferred name
- Benzothiazole, 2-methoxy-6-(N-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-propionamido)-, oxalate (1:2)
- IUPAC
- N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid
Names & synonyms
77563-12-32-Methoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)-propionamido)-benzothiazole oxalateBenzothiazole, 2-methoxy-6-(N-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-propionamido)-, oxalate (1:2)RefChem:328208DTXSID80998779Oxalic acid--N-(2-methoxy-1,3-benzothiazol-6-yl)-N-{1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl}propanamide (2/1)
Database identifiers
- CAS
77563-12-3- PubChem CID
- 53682
- DTXSID
DTXSID80998779
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…