Basic information
- Standard SMILES
CCc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O- InChIKey
SKAVDYNMPQPQND-UHFFFAOYSA-N- Molecular formula
- C25H29N3O5S
- Average molar mass
- 483.6 g/mol
- Monoisotopic mass
- 483.18279221
Names & identifiers
- Preferred name
- 1,1-Dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-5-ethyl-1,2-benzothiazol-3(2H)-one
- IUPAC
- 3-[1-[4-(5-ethyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL8672456SKAVDYNMPQPQND-UHFFFAOYSA-N1,1-Dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-5-ethyl-1,2-benzothiazol-3(2H)-one
Database identifiers
- PubChem CID
- 19085819
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 866
Related reactions
2 records
Compound notes
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