Basic information
- Standard SMILES
O=C(CCCCCCN1c2cccc3cccc(c23)S1(=O)=O)NOCc1ccccc1- InChIKey
IUUFKUMESSEACY-UHFFFAOYSA-N- Molecular formula
- C24H26N2O4S
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- 7-(1,1-Dioxo-2h-naphtho[1,8-cd]isothiazol-2-yl)-heptanoic acid benzyloxyamide
- IUPAC
- 7-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-phenylmethoxyheptanamide
Names & synonyms
SCHEMBL5852580IUUFKUMESSEACY-UHFFFAOYSA-N7-(1,1-dioxo-2h-naphtho[1,8-cd]isothiazol-2-yl)-heptanoic acid benzyloxyamide
Database identifiers
- PubChem CID
- 87901665
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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