Basic information
- CAS
80546-24-3- Standard SMILES
C1COCCN1.O=c1[nH]sc2ccccc12.OCCN(CCO)CCO.OCCNCCO- InChIKey
KWFCBHOZCRJMHG-UHFFFAOYSA-N- Molecular formula
- C21H40N4O7S
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.2617708
Names & identifiers
- Preferred name
- Proxel HL
- IUPAC
- 1,2-benzothiazol-3-one;2-[bis(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol;morpholine
Names & synonyms
Proxel HL80546-24-3SCHEMBL30639255
Database identifiers
- CAS
80546-24-3- PubChem CID
- 190052
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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