Nta 208
Basic information
- CAS
32527-53-0- Standard SMILES
CC(O)C[NH+]1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1.[Cl-]- InChIKey
SWMPOMJQLSHCRO-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N3O3S
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 405.0680681
Names & identifiers
- Preferred name
- Nta 208
- IUPAC
- 5-chloro-3-[2-[4-(2-hydroxypropyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one chloride
Names & synonyms
NTA-208NTA 2085-Chloro-3-(4-(2-hydroxy-2-methylethyl)piperazin-1-yl)carbonylmethyl-2-benzothiazolinone HCl32527-53-02-Benzothiazolinone, 5-chloro-3-(4-((2-hydroxy-2-methyl)ethyl)piperazin-1-yl)carbonylmethyl-, hydrochlorideRefChem:3659284-[[5-Chloro-2-oxo-2,3-dihydrobenzothiazol-3-yl]acetyl]-alpha-methyl-1-piperazineethanol
Database identifiers
- CAS
32527-53-0- PubChem CID
- 36156
Properties
Computed structural properties
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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