Basic information
- Standard SMILES
CC(C)(C)c1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1- InChIKey
ILKWMCZKFQBPEC-UHFFFAOYSA-N- Molecular formula
- C27H33N3O5S
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.21409234
Names & identifiers
- Preferred name
- 1,1-Dioxido-2-(4-(4-(5-tert-butyl-2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one
- IUPAC
- 5-tert-butyl-3-[1-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL8672467ILKWMCZKFQBPEC-UHFFFAOYSA-N1,1-Dioxido-2-(4-(4-(5-tert-butyl-2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one
Database identifiers
- PubChem CID
- 19085852
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 934
Related reactions
2 records
Compound notes
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